Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4293243 | 0.85 | DRD2 (0.55) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL12372530 | 0.81 | CYP2D6 (0.54) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL17619552 | 0.80 | DRD2 (0.50) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL1269458 | 0.79 | CYP2D6 (0.61) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL26440008 | 0.79 | CYP2D6 (0.46) | CYP2D6CYP3A4TSHRCHRM2CHRM3 | |
| SCHEMBL13556689 | 0.77 | CYP2D6 (0.60) | CYP2D6CYP3A4TSHRGAAALDH1A1 | |
| SCHEMBL4817148 | 0.77 | CYP3A4 (0.56) | CYP2D6CYP3A4TSHRGAAOPRL1 | |
| SCHEMBL2262610 | 0.77 | CYP3A4 (0.56) | CYP2D6CYP3A4TSHRGAAOPRL1 | |
| SCHEMBL14716240 | 0.77 | CYP2D6 (0.63) | DRD2DRD4DRD3CYP2D6CYP3A4 | |
| SCHEMBL4295326 | 0.76 | OPRL1 (0.53) | CYP2D6CYP3A4TSHRGAAOPRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0255908-B1 | 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them | WARNER LAMBERT CO (US) | 1994-10-19 | — | — | EP | disclosed |
| US-4771055-A | BACTERICIDES | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| EP-0255908-A2 | 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them | WARNER-LAMBERT COMPANY (US) | 1988-02-17 | — | — | EP | disclosed |