Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL126938 | 0.72 | KDM4E (0.39) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL275868 | 0.71 | — | — | |
| SCHEMBL7875042 | 0.70 | MAPT (0.43) | CYP3A4CYP2C9CYP2A6CYP2B6KDM4E | |
| SCHEMBL7152278 | 0.69 | KDM4E (0.36) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL386070 | 0.68 | CYP2A6 (0.41) | CYP3A4CYP2C9CYP2A6CYP2B6KDM4E | |
| SCHEMBL158705 | 0.68 | CYP2A6 (1.00) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL29590048 | 0.68 | CYP2A6 (1.00) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Pyrazine SCHEMBL28096471 | 0.67 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Benzene SCHEMBL28135573 | 0.67 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL10965014 | 0.67 | CYP2A6 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6063956-A | APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED | ROHM AND HAAS COMPANY (US) | 2000-05-16 | — | — | US | disclosed |
| CN-1017899-B | S-HETEROCYCLIC-2, 4-DIALKYL-3H-1,2,4-TRIGZOLE-3-THIONES AND THEIR USE AS ANTIDEPRESSANTS | MERRELL DOW PHARMA (US) | 1992-08-19 | — | — | CN | disclosed |