Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 16/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL21314075 | 1.00 | ADRB2 (0.49) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL1316209 | 0.96 | ADRB2 (0.53) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL384724 | 0.96 | ADRB2 (0.53) | ADRB2ADRB1KDM4EMEN1LMNA | |
| Formic Acid SCHEMBL14166036 | 0.92 | ADRB2 (0.49) | ADRB2ADRB1KDM4EMEN1LMNA | |
| Formic Acid SCHEMBL14166331 | 0.92 | ADRB2 (0.49) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL382983 | 0.84 | ADRB2 (0.36) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL1310988 | 0.83 | ADRB2 (0.54) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL1310985 | 0.83 | ADRB2 (0.54) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL28438008 | 0.80 | ADRB2 (0.49) | ADRB2ADRB1KDM4EMEN1LMNA | |
| SCHEMBL18920938 | 0.79 | ADRB2 (0.48) | ADRB2ADRB1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210024493-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2021-01-28 | — | — | US | disclosed |
| US-10836744-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2020-11-17 | — | — | US | disclosed |
| US-20200165223-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2020-05-28 | — | — | US | disclosed |
| US-10590107-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2020-03-17 | — | — | US | disclosed |
| EP-3197879-B1 | NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| US-20190300504-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2019-10-03 | — | — | US | disclosed |
| EP-2934594-B1 | CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . | ALMIRALL SA (ES) | 2019-09-04 | — | — | EP | disclosed |
| US-10358433-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2019-07-23 | — | — | US | disclosed |
| US-10300072-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ALMIRALL, S.A. (ES) | 2019-05-28 | — | — | US | disclosed |
| US-20190047984-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2019-02-14 | — | — | US | disclosed |
| US-20060035931-A1 | Crystalline form of a biphenyl compound | THERAVANCE, INC. | 2006-02-16 | — | — | US | disclosed |
| EP-1615881-A2 | DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1615889-A2 | BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance Inc (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1592685-A1 | BIPHENYL DERIVATIVES HAVING &bgr; sb 2 /sb ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance Inc (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004089892-A2 | DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| US-20040209860-A1 | compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation | THERAVANCE RESPIRATORY COMPANY, LLC | 2004-10-21 | — | — | US | disclosed |
| US-20040209915-A1 | substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2004-10-21 | — | — | US | disclosed |
| WO-2004074276-A1 | BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE INC. (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004074246-A2 | BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE INC. (US) | 2004-09-02 | — | — | WO | disclosed |
| US-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-08-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190300504-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885KDM4E 4100/4885 |
| US-20060035931-A1 | Crystalline form of a biphenyl compound | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | ADRB2 1162/4885ADRB1 1094/4885KDM4E 573/4885 |
| US-10836744-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | ADRB2 1/4885ADRB1 2/4885KDM4E 4017/4885 |
| US-10300072-B2 | Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities | ADRB2, CHRM3, CHRM2 | ADRB2 1/4885ADRB1 6/4885KDM4E 3323/4885 |
| US-20210024493-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885KDM4E 4454/4885 |
| US-10590107-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885KDM4E 4100/4885 |
| US-20040209915-A1 | substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRB1, ADRB2, ADRA2B | ADRB2 2/4885ADRB1 1/4885KDM4E 3093/4885 |
| US-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | ADRB1, ADRB2, ADRA2B | ADRB2 2/4885ADRB1 1/4885KDM4E 407/4885 |
| US-20190047984-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885KDM4E 3790/4885 |
| US-20200165223-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885KDM4E 4100/4885 |
| US-10358433-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | ADRB2 1/4885ADRB1 2/4885KDM4E 3791/4885 |
| US-20040209860-A1 | compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation | ADRA2C, ADRB2, AHR | ADRB2 2/4885ADRB1 7/4885KDM4E 237/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.