Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6021930 | 0.90 | LTB4R2 (0.34) | CYP3A4 | |
| SCHEMBL5282202 | 0.78 | CHRM5 (0.38) | — | |
| SCHEMBL6021946 | 0.76 | TRPV1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL5283848 | 0.76 | DAGLA (0.35) | CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL5801465 | 0.74 | MEN1 (0.34) | HTR1ATRPV1 | |
| SCHEMBL6022322 | 0.74 | ADRB2 (0.35) | BCHEACHE | |
| SCHEMBL6022468 | 0.73 | ADRB2 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19TRPV1 | |
| SCHEMBL5281472 | 0.70 | TAAR1 (0.37) | — | |
| SCHEMBL5276883 | 0.70 | CHRM3 (0.33) | — | |
| SCHEMBL4790223 | 0.69 | MCHR1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1723111-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | claimed |
| WO-2005087732-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | claimed |
| EP-1723111-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087732-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | disclosed |