Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 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 | |
|---|---|---|---|---|
| SCHEMBL29284679 | 0.91 | — | — | |
| SCHEMBL29284667 | 0.87 | OXTR (0.39) | CYP3A4CYP2C9CYP2B6CYP2C19OXTR | |
| SCHEMBL29284653 | 0.85 | NPSR1 (0.35) | CYP3A4CYP2C9CYP2B6CYP2C19OXTR | |
| SCHEMBL16973459 | 0.81 | OXTR (0.40) | CYP3A4CYP2C9CYP2B6CYP2C19OXTR | |
| SCHEMBL29284681 | 0.80 | — | — | |
| SCHEMBL29284669 | 0.79 | OXTR (0.33) | OXTR | |
| SCHEMBL29284689 | 0.79 | — | — | |
| SCHEMBL15472436 | 0.79 | OXTR (0.40) | CYP3A4CYP2C9CYP2B6CYP2C19OXTR | |
| SCHEMBL29284676 | 0.78 | OXTR (0.32) | OXTR | |
| SCHEMBL15472432 | 0.76 | OXTR (0.41) | CYP3A4CYP2C9CYP2B6CYP2C19OXTR |
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 |
|---|---|---|---|---|---|---|---|
| CN-118206533-A | N-pyridazine pyrazole amide compounds | 湖南化工研究院有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-118206533-A | N-pyridazine pyrazole amide compounds | 湖南化工研究院有限公司 | 2024-06-18 | — | — | CN | disclosed |