Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16124244 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL9508203 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL7278345 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL30252278 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL2231148 | 0.98 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL837175 | 0.91 | — | — | |
| Acetic Acid SCHEMBL9705698 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL7093157 | 0.89 | ALDH1A1 (0.70) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL7094868 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| 1,5-Pentanediol SCHEMBL29013568 | 0.85 | CHRM2 (0.46) | ALDH1A1TDP1CYP3A4ALOX15USP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4246178-A | CHEMICAL INTERMEDIATE FOR THE FLAVOR MALTOL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1981-01-20 | — | — | US | disclosed |