Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 5/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6989534 | 0.80 | FABP4 (0.44) | CYP3A4CYP2D6CYP1A2KCNK3 | |
| SCHEMBL28299650 | 0.77 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP1A2HTTLMNA | |
| SCHEMBL16635365 | 0.75 | CCL5 (0.40) | KCNK3 | |
| SCHEMBL9776981 | 0.74 | ALDH1A1 (0.46) | DPP4DPP8 | |
| SCHEMBL18735973 | 0.72 | POLB (0.46) | CYP2D6DPP4HTT | |
| SCHEMBL5965964 | 0.71 | FKBP1A (0.39) | CYP3A4CYP2D6CYP1A2DPP4DPP8 | |
| SCHEMBL3536343 | 0.71 | CYP2D6 (0.50) | CYP3A4CYP2D6CYP1A2HTTLMNA | |
| Hydrochloric Acid SCHEMBL10985140 | 0.71 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP1A2HTT | |
| SCHEMBL5966154 | 0.71 | FKBP1A (0.45) | — | |
| SCHEMBL9873550 | 0.70 | ALDH1A1 (0.45) | — |
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 |