Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2964 | 0.97 | — | — | |
| SCHEMBL10306547 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27779568 | 0.94 | PTGS1 (0.52) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL27803389 | 0.94 | PTGS1 (0.52) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL27518487 | 0.94 | PTGS1 (0.52) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| Hydrochloric Acid SCHEMBL2831797 | 0.94 | PTGS1 (0.52) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| Methyl Alcohol SCHEMBL28227404 | 0.89 | CYP2A6 (0.52) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL5800 | 0.89 | PTGS1 (0.58) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| Benzaldehyde SCHEMBL28297125 | 0.87 | ALDH1A1 (0.70) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL16897173 | 0.87 | PTGS1 (0.47) | PTGS1CYP2A6HSD17B10ALDH5A1ABAT |
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-1101916-A | Compounds | SMITHKLINE BEECHAM CORP (US) | 1995-04-26 | — | — | CN | disclosed |