Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 11/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 9/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 8/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.37 |
| ▸ | AOC1 | P19801 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL31718017 | 0.76 | MCL1 (0.59) | MCL1AURKAAURKBINCENPDAO | |
| SCHEMBL6447254 | 0.74 | CYP2C19 (0.61) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL2966989 | 0.73 | — | — | |
| SCHEMBL31718030 | 0.72 | MCL1 (0.49) | MCL1AURKAAURKBINCENPDAO | |
| SCHEMBL30574719 | 0.71 | — | — | |
| SCHEMBL490790 | 0.71 | — | — | |
| SCHEMBL2568536 | 0.71 | — | — | |
| SCHEMBL31718019 | 0.68 | MCL1 (0.49) | MCL1AURKAAURKBINCENPDAO | |
| SCHEMBL2001029 | 0.68 | DPYD (0.53) | CYP2C19THPOPMP22CYP2A6CYP2D6 | |
| SCHEMBL1694688 | 0.67 | — | — |
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-116425673-B | N-propyne-pyridone derivative and preparation method and application thereof | 浙江工业大学 | 2025-03-04 | — | — | CN | claimed |