Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11116627 | 0.99 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10646247 | 0.85 | CYP3A4 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10648603 | 0.69 | PDE3B (0.46) | PDE3BPDE3AIGF1R | |
| Hydrochloric Acid SCHEMBL10652610 | 0.69 | CYP3A4 (0.56) | CYP1A2CYP2D6CYP3A4LMNACHRM1 | |
| SCHEMBL10652461 | 0.68 | CYP19A1 (0.36) | CYP2C9CYP2C19CYP3A4POLB | |
| SCHEMBL1752995 | 0.68 | ACHE (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10646403 | 0.67 | CYP3A4 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10916310 | 0.64 | CYP3A4 (0.32) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10649836 | 0.64 | PDE3B (0.35) | POLBPDE3BPDE3A | |
| SCHEMBL10650460 | 0.63 | CYP11B1 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 |
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-0128502-B1 | SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION | A. Nattermann & Cie. GmbH (DE) | 1988-08-31 | — | — | EP | disclosed |
| EP-0128502-A1 | Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation | A. Nattermann & Cie. GmbH (DE) | 1984-12-19 | — | — | EP | disclosed |