Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | RARG | P13631 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7431305 | 0.89 | SYK (0.44) | SYKACERAB9AKDM4ELMNA | |
| SCHEMBL7425892 | 0.85 | CYP2C9 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7435502 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9456479 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7439106 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7432730 | 0.76 | RAB9A (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7428887 | 0.76 | PPARA (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7425888 | 0.75 | CYP2C9 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9456690 | 0.74 | RAB9A (0.51) | SYKRAB9AKDM4ELMNAMAPT | |
| Dexecadotril SCHEMBL28209442 | 0.73 | CYP1A2 (0.88) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-0318859-A2 | N-substituted mercaptopropanamide derivatives | Dainippon Pharmaceutical Co., Ltd. (JP) | 1989-06-07 | — | — | EP | disclosed |