Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | ERN1 | O75460 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.51 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.51 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.51 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.51 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3677398 | 0.88 | ERN1 (0.56) | ALDH1A1ERN1CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL343958 | 0.84 | TRIM24 (0.65) | ALDH1A1ERN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6880427 | 0.83 | ALDH1A1 (0.47) | ALDH1A1ERN1CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL2474418 | 0.83 | ERN1 (0.57) | ALDH1A1ERN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25622473 | 0.82 | ERN1 (0.47) | ALDH1A1ERN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6545157 | 0.81 | ALDH1A1 (0.55) | ALDH1A1ERN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17229426 | 0.81 | ALDH1A1 (0.53) | ALDH1A1ERN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9272421 | 0.81 | CYP1A2 (0.63) | ALDH1A1CYP1A2CYP1A1CYP1B1CYP2C9 | |
| SCHEMBL2563799 | 0.79 | CA12 (0.53) | ERN1LMNAMAPTMAPK1TDP1 | |
| SCHEMBL2552037 | 0.79 | SMN1; SMN2 (0.57) | ALDH1A1ERN1CYP1A2CYP2C9CYP2C19 |
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-0817782-B1 | PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2002-09-25 | — | — | EP | disclosed |
| US-6147111-A | KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; VASODILATION | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-11-14 | — | — | US | disclosed |
| EP-0817782-A1 | PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030358-A1 | PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-10-03 | — | — | WO | disclosed |