Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9261306 | 0.90 | CYP1A2 (0.43) | CHRM3CYP1A2ALDH1A1 | |
| SCHEMBL7385299 | 0.84 | ALDH1A1 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9260633 | 0.82 | ALDH1A1 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7276696 | 0.82 | ALDH1A1 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9260505 | 0.82 | CYP1A2 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7487307 | 0.81 | CYP1A2 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9256769 | 0.80 | CHRM3 (0.37) | CHRM3CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9265904 | 0.80 | CTSB (0.37) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9258861 | 0.79 | SMN1; SMN2 (0.41) | CYP2C19ACE2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9262103 | 0.79 | KMT2A (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2ITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5393875-A | Hypotensive, cardiotonic and antiischemic agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | disclosed |