Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 4/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | AOC1 | P19801 | 6/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10954433 | 0.87 | CYP2E1 (0.51) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL7468680 | 0.83 | CYP2E1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL20643181 | 0.80 | CYP2D6 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL5109069 | 0.80 | CYP2E1 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL8271491 | 0.79 | CYP2E1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL9036398 | 0.78 | TDP1 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL5110078 | 0.76 | CYP2E1 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL18858524 | 0.76 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL9587868 | 0.75 | TDP1 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL873728 | 0.75 | CYP2E1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0650476-A1 | PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-03 | — | — | EP | disclosed |