Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9712649 | 0.82 | NCEH1 (0.38) | CYP3A4TRPA1NCEH1 | |
| SCHEMBL9712531 | 0.78 | — | — | |
| SCHEMBL329259 | 0.78 | TDP2 (0.36) | CYP3A4TRPA1 | |
| SCHEMBL2048824 | 0.73 | TSHR (0.38) | CYP3A4TRPA1 | |
| SCHEMBL10753626 | 0.72 | NCEH1 (0.42) | TRPA1NCEH1 | |
| SCHEMBL9712590 | 0.68 | AR (0.36) | CYP3A4TRPA1 | |
| SCHEMBL4358432 | 0.68 | POLB (0.39) | CYP3A4TRPA1 | |
| SCHEMBL5158400 | 0.68 | SIGMAR1 (0.36) | CYP3A4TRPA1 | |
| SCHEMBL2048825 | 0.68 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL819186 | 0.68 | ALDH1A1 (0.42) | CYP3A4NCEH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |