Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 5/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7475745 | 0.89 | CYP2C9 (0.52) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7477212 | 0.84 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL9738512 | 0.82 | CYP3A4 (0.67) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7484834 | 0.81 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7484831 | 0.81 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7474369 | 0.81 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7474364 | 0.81 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL7474769 | 0.81 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL18479380 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL7482118 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 |
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 |