Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 7/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10721439 | 0.91 | CYP3A4 (0.61) | ABCB1CYP3A4CYP2C9POLB | |
| SCHEMBL5057049 | 0.87 | ABCB1 (0.78) | ABCB1CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL17604676 | 0.87 | ABCB1 (0.67) | ABCB1CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL10721627 | 0.87 | ABCB1 (0.78) | ABCB1CYP3A4POLB | |
| SCHEMBL10718725 | 0.86 | POLB (0.73) | ABCB1CYP3A4CYP2C9POLB | |
| SCHEMBL5057014 | 0.86 | ABCB1 (0.67) | ABCB1CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL10722323 | 0.85 | POLB (0.55) | ABCB1CYP3A4CYP2C9POLB | |
| SCHEMBL10721518 | 0.84 | ABCB1 (1.00) | ABCB1CYP3A4CYP2C9POLB | |
| SCHEMBL10718679 | 0.84 | ABCB1 (0.74) | ABCB1CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL10719280 | 0.83 | CYP3A4 (0.76) | ABCB1CYP3A4CYP2C9POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0236618-A2 | Insecticidal N'-substituted-N,N'-diacylhydrazines | ROHM AND HAAS COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |