Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.64 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.54 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL17772909 | 0.80 | ALDH1A1 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL8189337 | 0.78 | CYP2A6 (0.73) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL61517 | 0.78 | CYP2A6 (1.00) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| Water SCHEMBL28553448 | 0.76 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| Hydrochloric Acid SCHEMBL6593779 | 0.76 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL28322492 | 0.76 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL27297501 | 0.75 | CYP2A6 (0.55) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| Hydrochloric Acid SCHEMBL20657879 | 0.74 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| Methyl Alcohol SCHEMBL11054490 | 0.74 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL29954156 | 0.74 | CYP2A6 (0.67) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 |
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-112574176-B | Heteroaryl compound and application thereof | 隆泰申医药科技(南京) 有限公司 | 2024-03-15 | — | — | CN | disclosed |