Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 3/20 | 0.44 |
| ▸ | CPA3 | P15088 | 3/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7385299 | 0.84 | ALDH1A1 (0.43) | CYP1A2SLC15A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9261306 | 0.84 | CYP1A2 (0.43) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9259379 | 0.83 | CYP1A2 (0.42) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9261592 | 0.82 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7276696 | 0.82 | ALDH1A1 (0.44) | CYP1A2SLC15A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9260505 | 0.82 | CYP1A2 (0.41) | CYP1A2SLC15A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7163321 | 0.82 | CYP1A2 (0.59) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7277365 | 0.82 | CYP1A2 (0.59) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7269232 | 0.82 | CYP1A2 (0.59) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9256762 | 0.81 | CHRM3 (0.39) | 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-0572909-A1 | Amino acid derivatives as renin inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1993-12-08 | — | — | EP | disclosed |