Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL694747 | 0.88 | ALDH1A1 (0.49) | PIN1PTPN1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL2487882 | 0.87 | CYP3A4 (0.49) | ALDH1A1HPGDCYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL694922 | 0.81 | ABL1 (0.50) | PTPN1ALDH1A1HPGDCYP3A4TDP1 | |
| SCHEMBL31313406 | 0.81 | ABL1 (0.50) | PTPN1ALDH1A1HPGDCYP3A4TDP1 | |
| SCHEMBL698040 | 0.79 | CYP3A4 (0.44) | ALDH1A1HPGDCYP3A4TDP1KDM4E | |
| SCHEMBL10316751 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL5171045 | 0.77 | CYP3A4 (0.53) | PTPN1ALDH1A1HPGDCYP3A4TDP1 | |
| Hydrogen Sulfide SCHEMBL21797064 | 0.76 | CYP3A4 (0.51) | PTPN1ALDH1A1HPGDCYP3A4TDP1 | |
| SCHEMBL694746 | 0.76 | PTGDR2 (0.39) | ALDH1A1HPGDCYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL28541560 | 0.76 | CYP3A4 (0.36) | ALDH1A1HPGDCYP3A4TDP1SMN1; SMN2 |
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 33 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 |
| US-20190300504-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2019-10-03 | — | — | US | 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-20190047984-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | THERAVANCE RESPIRATORY COMPANY, LLC | 2019-02-14 | — | — | US | disclosed |
| EP-3210981-B1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE RESPIRATORY CO LLC (US) | 2019-01-02 | — | — | EP | disclosed |
| US-10138220-B1 | Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2018-11-27 | — | — | US | disclosed |
| US-9975875-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2018-05-22 | — | — | US | disclosed |
| US-8816088-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130331364-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2013-12-12 | — | — | US | disclosed |
| US-8551978-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2013-10-08 | — | — | US | disclosed |
| EP-2599778-A1 | Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity | Theravance Inc (US) | 2013-06-05 | — | — | EP | disclosed |
| US-20130137665-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2013-05-30 | — | — | US | disclosed |
| EP-2421849-B1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE INC (US) | 2013-04-03 | — | — | EP | disclosed |
| US-8138345-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2421849-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123766-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| US-20100273755-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-10-28 | — | — | 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 (11 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 | PIN1 3794/4885PTPN1 2068/4885ALDH1A1 1263/4885 |
| US-10138220-B1 | Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | PIN1 3325/4885PTPN1 1867/4885ALDH1A1 1710/4885 |
| US-10836744-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | PIN1 3720/4885PTPN1 2178/4885ALDH1A1 1282/4885 |
| US-20130331364-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | PIN1 3969/4885PTPN1 2965/4885ALDH1A1 857/4885 |
| US-20210024493-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | PIN1 3645/4885PTPN1 2459/4885ALDH1A1 1382/4885 |
| US-10590107-B2 | Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2B | PIN1 3794/4885PTPN1 2068/4885ALDH1A1 1263/4885 |
| US-20190047984-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | PIN1 3766/4885PTPN1 2184/4885ALDH1A1 1356/4885 |
| US-20200165223-A1 | Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity | ADRB2, ADRB1, ADRA2B | PIN1 3794/4885PTPN1 2068/4885ALDH1A1 1263/4885 |
| US-10358433-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | ADRB2, ADRB1, ADRA2A | PIN1 3916/4885PTPN1 2106/4885ALDH1A1 1297/4885 |
| US-20100273755-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | PIN1 3969/4885PTPN1 2965/4885ALDH1A1 857/4885 |
| US-20130137665-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2A | PIN1 3969/4885PTPN1 2965/4885ALDH1A1 857/4885 |
“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.