Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8928258 | 0.84 | ALDH1A1 (0.51) | GAAKMT2AKDM4EALDH1A1MAPK1 | |
| SCHEMBL26633045 | 0.80 | ADORA1 (0.50) | CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL31215443 | 0.80 | ADORA1 (0.50) | CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL8928234 | 0.79 | GRK6 (0.43) | CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL15021516 | 0.73 | IDO1 (0.60) | CYP3A4CYP1A2CYP2C19CYP2D6IDO1 | |
| SCHEMBL3951714 | 0.73 | KDM4E (0.52) | CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL3832736 | 0.72 | IDO1 (0.58) | CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL31420979 | 0.72 | IDO1 (0.58) | CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL4865755 | 0.72 | MEN1 (0.71) | CYP3A4IDO1KMT2AALOX15PDE3B | |
| SCHEMBL14489499 | 0.71 | IDO1 (0.75) | CYP3A4IDO1KMT2AALOX15PDE3B |
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-0755931-A1 | Dihydropyridine and pyridine derivatives and process for their preparation | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-01-29 | — | — | EP | claimed |
| EP-0755931-A1 | Dihydropyridine and pyridine derivatives and process for their preparation | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-01-29 | — | — | EP | disclosed |