Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862689 | 0.87 | CYP4F2 (0.45) | CYP3A4CYP1A2CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL7184090 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL9862466 | 0.81 | PTGS1 (0.53) | CYP3A4CYP1A2KDM4ELMNASMN1; SMN2 | |
| SCHEMBL9862564 | 0.81 | FFAR1 (0.50) | CYP3A4CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL9862483 | 0.81 | PTGS1 (0.53) | CYP3A4CYP1A2KDM4ELMNASMN1; SMN2 | |
| SCHEMBL9862517 | 0.80 | FFAR1 (0.51) | CYP3A4CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL9862381 | 0.77 | ALDH1A1 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL9862577 | 0.77 | ALDH1A1 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL7194195 | 0.77 | ESR1 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL7192245 | 0.77 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9HSD17B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021414-A | Antiestrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-06-04 | — | — | US | disclosed |
| US-4904661-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-27 | — | — | US | disclosed |
| US-4732912-A | ANTIESTROGENS, ANTITUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-22 | — | — | US | disclosed |
| EP-0124369-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-06-24 | — | — | EP | disclosed |
| EP-0124369-A1 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-07 | — | — | EP | disclosed |