Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | DPP4 | P27487 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL963057 | 1.00 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15186860 | 0.91 | XDH (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6335133 | 0.89 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16808545 | 0.89 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20690951 | 0.89 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29136995 | 0.89 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6335130 | 0.89 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31176847 | 0.85 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL846372 | 0.83 | MAPK1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL846373 | 0.83 | MAPK1 (0.49) | CA12CA1CA2CA7CA9 |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10975099-B2 | Thiophene compounds for long-acting injectable compositions and related methods | ALKERMES PHARMA IRELAND LIMITED (IE) | 2021-04-13 | — | — | US | disclosed |
| US-20200325157-A1 | Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods | ALKERMES PHARMA IRELAND LIMITED (IE) | 2020-10-15 | — | — | US | disclosed |
| EP-3012254-A1 | BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS | Theravance Respiratory Company, LLC (US) | 2016-04-27 | — | — | EP | disclosed |
| EP-2246345-B1 | BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE RESPIRATORY CO LLC (US) | 2016-02-10 | — | — | EP | disclosed |
| US-8969571-B2 | Biphenyl derivatives | THERAVANCE RESPIRATORY COMPANY, LLC (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140235864-A1 | BIPHENYL DERIVATIVES | THERAVANCE, INC. (US) | 2014-08-21 | — | — | US | disclosed |
| US-8618131-B2 | Biphenyl derivatives | THERAVANCE, INC. (US) | 2013-12-31 | — | — | US | disclosed |
| US-20130150404-A1 | BIPHENYL DERIVATIVES | THERAVANCE, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8247564-B2 | Compounds having BETA2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE, INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-8242135-B2 | Biphenyl derivatives | THERAVANCE, INC. (US) | 2012-08-14 | — | — | US | disclosed |
| US-20060223859-A1 | Chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-10-05 | — | — | US | disclosed |
| US-20060223860-A1 | e.g. 3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)-hexyl]oxy}butyl)benzenesulfonamide; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity; bronchodilator agent; pulmonary disorders: chronic obstructive pulmonary dusease; asthma | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-10-05 | — | — | US | disclosed |
| EP-1626970-A1 | AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-02-22 | — | — | EP | disclosed |
| US-20050203167-A1 | Diphenylmethyl compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. | 2005-09-15 | — | — | US | disclosed |
| US-20050113417-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-05-26 | — | — | US | disclosed |
| WO-2004106333-A1 | AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2004-12-09 | — | — | WO | disclosed |
| US-20040242622-A1 | Azabicycloalkane compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-12-02 | — | — | 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 |
| 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-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-20140235864-A1 | BIPHENYL DERIVATIVES | ADRB1, ADRB2, ADRB3 | CA12 4215/4885CA1 4525/4885CA2 1756/4885 |
| US-20200325157-A1 | Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods | OPRK1, OPRM1, OPRD1 | CA12 3912/4885CA1 4261/4885CA2 4709/4885 |
| US-20060223860-A1 | e.g. 3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)-hexyl]oxy}butyl)benzenesulfonamide; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity; bronchodilator agent; pulmonary disorders: chronic obstructive pulmonary dusease; asthma | ADRB2, ADRA2B, ADRB1 | CA12 3883/4885CA1 4404/4885CA2 1223/4885 |
| US-20050203167-A1 | Diphenylmethyl compounds useful as muscarinic receptor antagonists | CHRM1, CHRM2, CHRM3 | CA12 3965/4885CA1 3200/4885CA2 2267/4885 |
| US-20060223859-A1 | Chronic obstructive pulmonary dusease; asthma | ADRB2, ADRA2B, ADRB1 | CA12 3749/4885CA1 4375/4885CA2 1583/4885 |
| US-20040242622-A1 | Azabicycloalkane compounds | ADRB1, ADRB2, ADRA1B | CA12 3106/4885CA1 3460/4885CA2 1667/4885 |
| 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 | CA12 4414/4885CA1 4120/4885CA2 1733/4885 |
| US-20130150404-A1 | BIPHENYL DERIVATIVES | ADRB1, ADRB2, ADRB3 | CA12 4229/4885CA1 4544/4885CA2 1780/4885 |
| US-20040167167-A1 | Chronic obstructive pulmonary dusease; asthma | ADRB1, ADRB2, ADRA2B | CA12 3995/4885CA1 4215/4885CA2 1883/4885 |
| US-20050113417-A1 | Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity | ADRA2B, ADRB2, ADRB1 | CA12 3285/4885CA1 3404/4885CA2 1115/4885 |
| US-10975099-B2 | Thiophene compounds for long-acting injectable compositions and related methods | OPRK1, OPRM1, OPRD1 | CA12 3675/4885CA1 3993/4885CA2 4623/4885 |
| 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 | CA12 3989/4885CA1 4518/4885CA2 1366/4885 |
“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.