Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DHPS | P49366 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15717101 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MEN1 | |
| SCHEMBL6691335 | 0.76 | CYP2A6 (0.58) | CYP2A6ALDH1A1AURKATTKAURKB | |
| SCHEMBL30445600 | 0.74 | CYP2A6 (0.49) | CYP2A6ALDH1A1CYP2A13GRM2CYP2E1 | |
| SCHEMBL6172101 | 0.74 | CYP2A6 (0.53) | CYP2A6ALDH1A1CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL30577111 | 0.73 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP2A13GRM2CYP2E1 | |
| SCHEMBL30522560 | 0.71 | BACE1 (0.46) | CYP2A6AURKATTKAURKBINCENP | |
| SCHEMBL30522588 | 0.71 | KCNA3 (0.45) | CYP2A6ALDH1A1CYP2A13CYP2E1CYP2C9 | |
| SCHEMBL30109018 | 0.70 | CYP2A6 (0.53) | CYP2A6ALDH1A1CYP2A13GRM2CYP2E1 | |
| SCHEMBL4053682 | 0.70 | CYP2A6 (0.49) | CYP2A6AURKATTKAURKBINCENP | |
| SCHEMBL31743133 | 0.70 | GRM2 (0.71) | GRM2CYP1A2 |
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-115702145-A | Substituted pyridines for the treatment of inflammatory diseases | 戈萨默生物服务公司 | 2023-02-14 | — | — | CN | disclosed |