Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.75 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.75 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CDC42 | P60953 | 1/20 | 0.53 |
| ▸ | RAC1 | P63000 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL317875 | 1.00 | AKR1C3 (0.75) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10923723 | 0.98 | AKR1C3 (0.73) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL9862669 | 0.87 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL9191406 | 0.83 | AKR1C3 (0.54) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL10923719 | 0.83 | AKR1C3 (0.54) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL5317090 | 0.83 | AKR1C3 (0.54) | AKR1C3AKR1C2CYP1A2RAB9AMEN1 | |
| SCHEMBL17017218 | 0.81 | AKR1C3 (0.57) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL11431074 | 0.81 | HPGD (0.58) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL11390762 | 0.80 | AKR1C3 (0.69) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 | |
| SCHEMBL3681215 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2CYP1A2LDHAMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0275354-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE ARYLACETIC ACID DERIVATIVES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-10-16 | — | — | EP | disclosed |
| US-4762948-A | USING METALLOCENYL PHOSPHINE REDUCING AGENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-08-09 | — | — | US | disclosed |
| EP-0275354-A1 | Process for preparing optically active arylacetic acid derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-07-27 | — | — | EP | disclosed |
| US-4321212-A | Method for preparing an optically active α-cyano-3-phenoxybenzyl 2-(4-substituted-phenyl)isovalerate | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1982-03-23 | — | — | US | disclosed |