Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | FPR1 | P21462 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29284669 | 0.92 | OXTR (0.33) | OXTR | |
| SCHEMBL29284676 | 0.90 | OXTR (0.32) | OXTRALDH1A1 | |
| SCHEMBL16973459 | 0.89 | OXTR (0.40) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29424872 | 0.89 | OXTR (0.41) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL22213997 | 0.89 | OXTR (0.41) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL15472432 | 0.89 | OXTR (0.41) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL22213996 | 0.89 | OXTR (0.41) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29769717 | 0.89 | OXTR (0.41) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL29284681 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL21326173 | 0.88 | OXTR (0.41) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 |
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 |