Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL11173801 | 0.84 | AR (0.36) | CES1ALDH1A1MAPTCYP3A4AR | |
| SCHEMBL9712531 | 0.80 | — | — | |
| SCHEMBL2053018 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP3A4TDP1AR | |
| SCHEMBL9442680 | 0.76 | TRPV4 (0.43) | ALDH1A1AR | |
| SCHEMBL6681654 | 0.76 | ALDH1A1 (0.48) | CES1ALDH1A1MAPTCYP3A4MAPK1 | |
| SCHEMBL329259 | 0.75 | TDP2 (0.36) | CYP3A4 | |
| SCHEMBL9712353 | 0.74 | TSHR (0.38) | ALDH1A1CYP3A4MAPK1TDP1 | |
| Ammonia Solution, Strong SCHEMBL309539 | 0.73 | ALDH1A1 (0.46) | CES1ALDH1A1MAPTCYP3A4MAPK1 | |
| SCHEMBL9712516 | 0.71 | AR (0.34) | AR | |
| SCHEMBL329657 | 0.70 | MAPK1 (0.40) | CES1CYP3A4MAPK1TDP1 |
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 |