Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CDC42 | P60953 | 1/20 | 0.51 |
| ▸ | RAC1 | P63000 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL317875 | 0.87 | AKR1C3 (0.75) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL9818100 | 0.87 | AKR1C3 (0.75) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10923723 | 0.85 | AKR1C3 (0.73) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL4455244 | 0.84 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL10256610 | 0.83 | AKR1C3 (0.53) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL9191406 | 0.81 | AKR1C3 (0.54) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL11431074 | 0.80 | HPGD (0.58) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL1309078 | 0.80 | PTGS2 (0.50) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL16446830 | 0.79 | DPP4 (0.49) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL11210306 | 0.79 | CYP2D6 (0.46) | AKR1C3AKR1C2PTGS2ALDH1A1ALOX5 |
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 |