Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL16660742 | 0.92 | OXTR (0.40) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660731 | 0.91 | OXTR (0.40) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660740 | 0.88 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16654825 | 0.88 | OXTR (0.35) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16973269 | 0.87 | TRPV4 (0.38) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660743 | 0.83 | OXTR (0.39) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660730 | 0.83 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16654466 | 0.83 | OXTR (0.37) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660732 | 0.82 | OXTR (0.38) | OXTRCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16660741 | 0.81 | 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 |