Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TST | Q16762 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10594275 | 0.87 | GCGR (0.41) | ESR1TP53CYP3A4MAPTESR2 | |
| SCHEMBL9418140 | 0.87 | ESR1 (0.40) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9862540 | 0.84 | ESR1 (0.39) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10641700 | 0.82 | ESR1 (0.44) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10501772 | 0.78 | ESR1 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10597263 | 0.76 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL9862642 | 0.74 | CNR2 (0.51) | HSD17B10MAPT | |
| SCHEMBL10595456 | 0.73 | GCGR (0.38) | CYP3A4MAPT | |
| SCHEMBL626232 | 0.72 | ESR1 (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9862532 | 0.72 | ESR1 (0.42) | ESR1LMNAACHERARBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0160508-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | claimed |
| US-4760061-A | Antioestrogenic agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-07-26 | — | — | US | claimed |
| US-5183814-A | Administering estrogen and antiestrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-02 | — | — | US | disclosed |
| 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 |