Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.67 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL27520789 | 0.87 | ALDH1A1 (0.78) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL27780817 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL3088932 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL28089327 | 0.83 | ALDH1A1 (0.70) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL28807025 | 0.83 | ALDH1A1 (0.70) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL1129906 | 0.83 | ALDH1A1 (0.70) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL9780149 | 0.83 | ALDH1A1 (0.70) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL7038566 | 0.83 | ALDH1A1 (0.70) | ALDH1A1CYP2A6ALDH1A3ALDH3A1NPC1 | |
| Benzaldehyde SCHEMBL5458306 | 0.82 | ALDH1A1 (0.78) | ALDH1A1CYP2A6ALDH1A3ALDH3A1CYP2A13 | |
| Benzaldehyde SCHEMBL27780794 | 0.82 | ALDH1A1 (0.88) | ALDH1A1CYP2A6CYP2A13TSHRLMNA |
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-108384817-A | The synthetic method of one kind (2S) -2-N- fluorenylmethyloxycarbonyl amino-2-methyl -6- heptenoic acids | 康化（上海）新药研发有限公司 | 2018-08-10 | — | — | CN | disclosed |