Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20977731 | 0.79 | CYP19A1 (0.44) | CYP2D6HPGDTACR1ALDH1A1CYP3A4 | |
| SCHEMBL10247751 | 0.74 | CYP3A4 (0.45) | CYP2D6HPGDTACR1ALDH1A1CYP3A4 | |
| SCHEMBL6990421 | 0.73 | SLC6A2 (0.49) | CYP2D6HPGDCYP19A1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL702159 | 0.73 | CYP3A4 (0.44) | CYP2D6HPGDTACR1ALDH1A1CYP3A4 | |
| SCHEMBL5874147 | 0.72 | MAOA (0.40) | CYP2D6HPGDTACR1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL5874296 | 0.71 | MAOA (0.39) | CYP2D6HPGDTACR1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL5874165 | 0.71 | MAOA (0.39) | CYP2D6HPGDTACR1ALDH1A1CYP3A4 | |
| SCHEMBL656102 | 0.68 | DRD2 (0.60) | CYP2D6HPGDALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL16198043 | 0.68 | MAOA (0.42) | CYP19A1 | |
| SCHEMBL26762911 | 0.68 | CYP2D6 (0.42) | CYP2D6HPGDALDH1A1CYP3A4CYP2C19 |
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-7432379-B2 | Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists | ELAN PHARMACEUTICALS, INC. (US) | 2008-10-07 | — | — | US | claimed |