Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11625461 | 0.92 | HRH3 (0.58) | CYP2D6CYP19A1SLC6A4SLC6A2HRH3 | |
| SCHEMBL11620858 | 0.91 | HRH3 (0.53) | CYP2D6CYP19A1SLC6A4SLC6A2HRH3 | |
| SCHEMBL11623491 | 0.88 | CYP2D6 (0.57) | CYP2D6CYP19A1SLC6A4SLC6A2OPRM1 | |
| SCHEMBL10413788 | 0.80 | SLC6A4 (0.69) | CYP2D6SLC6A4SLC6A2OPRM1OPRD1 | |
| SCHEMBL11623216 | 0.79 | CYP3A4 (0.48) | HRH3ALDH1A1 | |
| SCHEMBL11627527 | 0.79 | HRH3 (0.45) | CYP2D6HRH3OPRM1OPRD1ALDH1A1 | |
| SCHEMBL11622825 | 0.77 | CYP2D6 (0.62) | CYP2D6CYP19A1SLC6A4SLC6A2OPRM1 | |
| SCHEMBL30330305 | 0.77 | CYP2D6 (0.62) | CYP2D6CYP19A1SLC6A4SLC6A2OPRM1 | |
| SCHEMBL15719175 | 0.77 | CYP2D6 (0.62) | CYP2D6CYP19A1SLC6A4SLC6A2ALDH1A1 | |
| SCHEMBL5414142 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP19A1SLC6A4SLC6A2OPRM1 |
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-4125612-A | N-1-(p-Biphenylalkyl)piperazines and their use as anti-inflammatory agents | SCHERING CORPORATION (US) | 1978-11-14 | — | — | US | disclosed |