Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.62 |
| ▸ | RARG | P13631 | 1/20 | 0.62 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.62 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.62 |
| ▸ | PPARA | Q07869 | 1/20 | 0.62 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.62 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.62 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7293157 | 0.80 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16568776 | 0.79 | SLC15A1 (0.72) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19996989 | 0.78 | SLC15A1 (0.65) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL7864470 | 0.78 | SLC15A1 (0.65) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL4804596 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL838961 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL838962 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6154521 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Ecadotril SCHEMBL48974 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Dexecadotril SCHEMBL1649041 | 0.77 | CYP1A2 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| US-4341781-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-07-27 | — | — | US | disclosed |