Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 10/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7473324 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7481450 | 0.90 | CYP2C9 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7481454 | 0.90 | CYP2C9 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7475245 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5239608 | 0.89 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5239615 | 0.89 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7474364 | 0.86 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7474369 | 0.86 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7482118 | 0.85 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7482124 | 0.85 | CYP1A2 (0.64) | 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 6 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 | claimed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | claimed |
| EP-0742218-A1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1996-11-13 | — | — | EP | claimed |
| 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 |