Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | XPO1 | O14980 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24804436 | 0.90 | CYP19A1 (0.54) | ALOX5OPRD1PTGESABCB1CYP19A1 | |
| SCHEMBL8703577 | 0.84 | OPRD1 (0.44) | ALOX5OPRD1PTGESPDE4DABCB1 | |
| SCHEMBL8699544 | 0.84 | OPRD1 (0.44) | ALOX5OPRD1PTGESPDE4DABCB1 | |
| SCHEMBL8698195 | 0.82 | ERN1 (0.44) | ALOX5OPRD1PTGESPDE4DABCB1 | |
| SCHEMBL8698192 | 0.82 | ERN1 (0.44) | ALOX5OPRD1PTGESPDE4DABCB1 | |
| SCHEMBL6229925 | 0.81 | CYP19A1 (0.67) | ALOX5ABCB1CYP19A1PTGS2KDM4E | |
| SCHEMBL6229924 | 0.81 | CYP19A1 (0.67) | ALOX5ABCB1CYP19A1PTGS2KDM4E | |
| SCHEMBL8702072 | 0.79 | PPARG (0.49) | ALOX5PTGESPDE4DABCB1CYP19A1 | |
| SCHEMBL8698359 | 0.78 | ABCB1 (0.53) | ALOX5PDE4DABCB1CYP19A1PTGS2 | |
| SCHEMBL900838 | 0.78 | ALDH1A1 (0.42) | CYP3A4ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |