Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 18/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4105924 | 0.85 | CASR (0.46) | CASRCYP2D6 | |
| SCHEMBL4105928 | 0.85 | CASR (0.46) | CASRCYP2D6 | |
| Hydrochloric Acid SCHEMBL4101551 | 0.82 | CASR (0.53) | CASRCYP2D6 | |
| Hydrochloric Acid SCHEMBL4101549 | 0.82 | CASR (0.53) | CASRCYP2D6 | |
| SCHEMBL1105843 | 0.82 | CASR (0.45) | CASRCYP2D6 | |
| SCHEMBL1105823 | 0.82 | CASR (0.46) | CASRCYP2D6 | |
| Hydrochloric Acid SCHEMBL4101450 | 0.82 | CASR (0.55) | CASRCYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL1096054 | 0.81 | CASR (0.46) | CASRCYP2D6 | |
| SCHEMBL4101477 | 0.79 | CASR (0.53) | CASRCYP2D6 | |
| SCHEMBL4105037 | 0.78 | CASR (0.51) | CASRCYP2D6CYP2A6CYP2B6 |
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-1882684-A1 | PYRROLIDINE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-01-30 | — | — | EP | disclosed |