Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AOC1 | P19801 | 5/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14872350 | 1.00 | CYP2A6 (0.42) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL29951676 | 0.86 | CYP2E1 (0.44) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL250163 | 0.83 | TDP1 (0.39) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL29952188 | 0.83 | CCNC (0.40) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL327654 | 0.83 | CCNC (0.40) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL4564968 | 0.82 | TDP1 (0.45) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL29958096 | 0.82 | AOC1 (0.35) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL25777776 | 0.82 | CYP2E1 (0.41) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL20356341 | 0.82 | CYP2E1 (0.41) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 | |
| SCHEMBL9000501 | 0.79 | CYP2E1 (0.39) | CYP2A6CYP2E1CYP2C8CYP2D6CYP2B6 |
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-118510782-A | As CaV1.2 Pyridine-3-carboxylic acid ester Compounds of activators | 诺华股份有限公司 | 2024-08-16 | — | — | CN | disclosed |