Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7930734 | 1.00 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL4820412 | 0.83 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL7922679 | 0.80 | NOTUM (0.41) | ALDH1A1KCNA5LMNAMAPTTP53 | |
| SCHEMBL7922682 | 0.80 | NOTUM (0.41) | ALDH1A1KCNA5LMNAMAPTTP53 | |
| SCHEMBL6688459 | 0.80 | CDK4 (0.47) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL7935558 | 0.79 | BACE1 (0.46) | CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8175555 | 0.79 | BACE1 (0.46) | CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL7935560 | 0.79 | BACE1 (0.46) | CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL10960411 | 0.79 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL894805 | 0.79 | ERN1 (0.57) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0879814-B1 | Triaromatic compounds, compositions containing them and uses thereof | CT INTERNAT DE BR RECH S DERMA (FR) | 2001-11-28 | — | — | EP | disclosed |
| US-6150413-A | TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) | 2000-11-21 | — | — | US | disclosed |
| EP-0879814-A1 | Triaromatic compounds, compositions containing them and uses thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-11-25 | — | — | EP | disclosed |