Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL607349 | 0.81 | ENPP2 (0.52) | CYP2A6ALDH1A1TYRCYP2A13PTGS2 | |
| SCHEMBL13926394 | 0.78 | CYP2A6 (0.52) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL22118701 | 0.77 | CYP2A6 (0.46) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL9720714 | 0.76 | MAOB (0.49) | CYP2A6PTGS2 | |
| SCHEMBL4715345 | 0.76 | PTGS2 (0.53) | CYP2A6MMP1MMP2MMP3MMP7 | |
| SCHEMBL6853680 | 0.75 | ALDH1A1 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Benzaldehyde SCHEMBL28192263 | 0.74 | ALDH1A1 (0.58) | CYP2A6ALDH1A1PTGS2 | |
| SCHEMBL16712218 | 0.73 | CYP2A6 (0.46) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL4139519 | 0.73 | GAA (0.59) | ALDH1A1KDM4EMMP1MMP2MMP9 | |
| SCHEMBL2264989 | 0.73 | PSIP1 (0.54) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4289961-A1 | METHOD FOR SYNTHESIZING (1R,2R)-AMPP BY USING ENZYME CASCADE REACTION | Zhejiang Apeloa Kangyu Pharmaceutical Co. Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |