Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | F2RL1 | P55085 | 13/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TXN | P10599 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL955339 | 0.79 | FPR2 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14752978 | 0.78 | TXN (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12233230 | 0.78 | TXN (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12207170 | 0.75 | TXN (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12234738 | 0.75 | TXN (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9638815 | 0.72 | F2RL1 (0.33) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3602253 | 0.69 | TXN (0.43) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL13066227 | 0.67 | — | — | |
| SCHEMBL28391810 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29248987 | 0.67 | TXN (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0403159-A2 | Imidazolyl-alkenoic acids | SMITHKLINE BEECHAM CORPORATION (US) | 1990-12-19 | — | — | EP | disclosed |