Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565372 | 0.79 | MAPK1 (0.49) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL9565316 | 0.76 | CYP2A6 (0.43) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL9565318 | 0.72 | PDGFRB (0.48) | CYP2A6MAPK1CYP3A4HPGDSCYP19A1 | |
| SCHEMBL7424771 | 0.72 | MAPK1 (0.48) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL7328164 | 0.70 | CYP2A6 (0.45) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL7430012 | 0.69 | CYP11B1 (0.50) | CYP2A6MAPK1CYP3A4CYP19A1ALDH1A1 | |
| SCHEMBL7440831 | 0.69 | CYP2A6 (0.44) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL7436678 | 0.68 | CYP2A6 (0.43) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL24037028 | 0.67 | CYP2A6 (0.52) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL30338445 | 0.67 | CYP2A6 (0.52) | CYP2A6MAPK1CYP3A4HSP90AA1HSP90AB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543245-A1 | Renin inhibiting amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |
| CN-1072413-A | Amino acid derivative | HOFFMANN LA ROCHE (CH) | 1993-05-26 | — | — | CN | disclosed |