Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3811657 | 0.85 | TACR1 (0.45) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4158017 | 0.82 | TACR1 (0.46) | TACR1CYP3A4CYP2D6CYP2C9OPRL1 | |
| SCHEMBL4153046 | 0.82 | TACR1 (0.46) | TACR1CYP3A4CYP2D6CYP2C9OPRL1 | |
| SCHEMBL5010526 | 0.79 | TACR1 (0.47) | TACR1CYP3A4CYP2D6CYP2C9OPRL1 | |
| SCHEMBL5010525 | 0.79 | TACR1 (0.47) | TACR1CYP3A4CYP2D6CYP2C9OPRL1 | |
| SCHEMBL4347292 | 0.79 | SIGMAR1 (0.46) | — | |
| SCHEMBL4754555 | 0.78 | PROKR1 (0.48) | OPRL1 | |
| SCHEMBL1969992 | 0.78 | TACR1 (0.44) | TACR1CYP3A4CYP2D6CYP2C9OPRL1 | |
| SCHEMBL5125043 | 0.78 | DPP4 (0.44) | CYP2D6 | |
| SCHEMBL1971268 | 0.76 | TACR1 (0.48) | TACR1CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188266-A2 | NOVEL PIPERAZINE AMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009021868-A2 | NOVEL PIPERAZINE AMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-19 | — | — | WO | disclosed |