Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7479363 | 1.00 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7479782 | 0.84 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7479776 | 0.84 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7475888 | 0.83 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7482094 | 0.80 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7486825 | 0.79 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7476839 | 0.78 | NPSR1 (0.40) | — | |
| SCHEMBL7485546 | 0.76 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7479162 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7480083 | 0.74 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-0742218-B1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO CO (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0742218-A1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1996-11-13 | — | — | EP | disclosed |