Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4162426 | 0.80 | CHRNB4 (0.40) | CYP2D6HTT | |
| SCHEMBL28299649 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2HTTLMNA | |
| SCHEMBL24666961 | 0.72 | ALDH1A1 (0.39) | CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL5593714 | 0.69 | ALDH1A1 (0.57) | LMNA | |
| SCHEMBL29182250 | 0.68 | ALDH1A1 (0.56) | LMNA | |
| SCHEMBL26629764 | 0.68 | PKM (0.55) | CYP2D6CYP1A2LMNA | |
| SCHEMBL27391812 | 0.68 | PKM (0.59) | CYP3A4LMNA | |
| SCHEMBL22476487 | 0.67 | PREP (0.37) | CYP2D6MTNR1B | |
| SCHEMBL4158230 | 0.67 | AR (0.33) | — | |
| SCHEMBL18132900 | 0.67 | CYP17A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636947-B | N- heteroaryl (thio) carbonyl -2- (Benzocycloalkene -1- base) cyclammonium and its purposes as fungicide | 拜耳作物科学股份公司 | 2019-05-07 | — | — | CN | disclosed |