Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ESRRA | P11474 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 2/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | STS | P08842 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9580202 | 0.95 | ESR1 (0.39) | ESR1ESR2NR3C1NR3C2NR1I2 | |
| SCHEMBL10641693 | 0.92 | ESR1 (0.36) | ESR1ESR2NR3C1NR3C2NR1I2 | |
| SCHEMBL10639043 | 0.86 | ESR1 (0.35) | ESR1ESR2NR3C1NR3C2NR1I2 | |
| SCHEMBL10500672 | 0.86 | ESR1 (0.41) | ESR1ESR2NR3C1NR3C2NR1I2 | |
| SCHEMBL10570764 | 0.85 | ESR1 (0.33) | ESR1ESR2NR3C1NR3C2 | |
| SCHEMBL5854368 | 0.81 | ESR1 (0.34) | ESR1ESR2NR3C1NR1I2PGR | |
| SCHEMBL7588501 | 0.81 | ESR1 (0.34) | ESR1ESR2NR3C1NR1I2PGR | |
| SCHEMBL7587976 | 0.81 | ESR1 (0.34) | ESR1ESR2NR3C1NR1I2PGR | |
| SCHEMBL7589349 | 0.81 | ESR1 (0.34) | ESR1ESR2NR3C1NR1I2PGR | |
| SCHEMBL7590311 | 0.81 | ESR1 (0.34) | ESR1ESR2NR3C1NR1I2PGR |
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-4760061-A | Antioestrogenic agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-07-26 | — | — | US | claimed |
| EP-0160508-A2 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-11-06 | — | — | EP | claimed |
| EP-0160508-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |
| US-4760061-A | Antioestrogenic agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-07-26 | — | — | US | disclosed |
| EP-0160508-A2 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-11-06 | — | — | EP | disclosed |