Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15474207 | 0.78 | OXTR (0.38) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL20788688 | 0.77 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL28360090 | 0.77 | OXTR (0.37) | OXTR | |
| SCHEMBL29139220 | 0.76 | OXTR (0.36) | OXTR | |
| SCHEMBL28360088 | 0.76 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL20788689 | 0.76 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16654466 | 0.76 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660730 | 0.76 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660731 | 0.75 | OXTR (0.40) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660742 | 0.74 | OXTR (0.40) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015055497-A1 | SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS | BASF SE (DE) | 2015-04-23 | — | — | WO | disclosed |