Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9257253 | 0.91 | KMT2A (0.48) | CYP2C9CYP2D6MEN1KMT2ATGM2 | |
| SCHEMBL9255967 | 0.88 | CYP1A2 (0.44) | ALDH1A1CYP1A2MAPTSSTR4 | |
| SCHEMBL9255965 | 0.88 | CYP1A2 (0.44) | ALDH1A1CYP1A2MAPTSSTR4 | |
| SCHEMBL7385299 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9256762 | 0.82 | CHRM3 (0.39) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9260505 | 0.81 | CYP1A2 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7276696 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9260639 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GAATSHRCYP3A4CYP2C19 | |
| SCHEMBL9261822 | 0.80 | OPRK1 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9258861 | 0.78 | SMN1; SMN2 (0.41) | GAACYP2C19MAPTMAPK1NTSR1 |
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 |