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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 12/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4014708 | 0.97 | ADRB2 (0.50) | ADRB2ADRB1ADRB3CCR5LMNA | |
| SCHEMBL4013682 | 0.91 | ADRB2 (0.40) | ADRB2ADRB1ADRB3CCR5LMNA | |
| SCHEMBL4013684 | 0.88 | CCR5 (0.38) | ADRB2ADRB1ADRB3CCR5LMNA | |
| SCHEMBL10634796 | 0.86 | ADRB2 (0.47) | ADRB2ADRB1CCR5CYP1A2CYP2D6 | |
| SCHEMBL11747826 | 0.85 | ADRB2 (0.59) | ADRB2ADRB1ADRB3CCR5LMNA | |
| SCHEMBL4014681 | 0.84 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CCR5LMNA | |
| SCHEMBL12158787 | 0.79 | ADRB2 (0.58) | ADRB2ADRB1CCR5LMNACYP1A2 | |
| SCHEMBL4667082 | 0.79 | ADRB2 (0.58) | ADRB2ADRB1CCR5LMNACYP1A2 | |
| SCHEMBL12158808 | 0.79 | ADRB2 (0.58) | ADRB2ADRB1CCR5LMNACYP1A2 | |
| SCHEMBL29496355 | 0.79 | ADRB2 (0.58) | ADRB2ADRB1CCR5LMNACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7511067-B2 | 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| US-20080132556-A1 | 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES | BOUYSSOU THIERRY | 2008-06-05 | — | — | US | disclosed |
| US-20050234112-A1 | 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | 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 (2 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-20050234112-A1 | 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases | PAH, CYP11B1, CYP11B2 | ADRB2 117/4885ADRB1 69/4885ADRB3 44/4885 |
| US-20080132556-A1 | 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES | PAH, CYP1A1, CYP11B1 | ADRB2 169/4885ADRB1 119/4885ADRB3 110/4885 |
“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.