Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12333663 | 1.00 | ALDH1A1 (0.47) | ALDH1A1GAAKDM4EALOX5MAPT | |
| SCHEMBL81132 | 0.88 | IGF1R (0.44) | ALDH1A1GAACA2PNMTTAAR1 | |
| SCHEMBL93063 | 0.83 | S1PR1 (0.51) | ALDH1A1MCL1S1PR1PTPN7DUSP3 | |
| SCHEMBL31533145 | 0.83 | S1PR1 (0.51) | ALDH1A1MCL1S1PR1PTPN7DUSP3 | |
| SCHEMBL12841593 | 0.81 | SKP2 (0.46) | ALDH1A1GAAMAPTPNMTTAAR1 | |
| SCHEMBL9108367 | 0.81 | MCL1 (0.46) | ALDH1A1GAAKDM4ETP53MCL1 | |
| SCHEMBL908524 | 0.80 | PNMT (0.61) | ALDH1A1GAAKDM4EALOX5MAPT | |
| SCHEMBL6301819 | 0.80 | ALDH1A1 (0.52) | ALDH1A1GAAKDM4EALOX5MAPT | |
| SCHEMBL7458179 | 0.79 | PNMT (0.41) | ALDH1A1MAPTPNMTTAAR1TP53 | |
| SCHEMBL3840980 | 0.79 | TAAR1 (0.67) | ALDH1A1KDM4EMAPTPNMTTAAR1 |
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-110225911-B | Oxadiazolone transient receptor potential channel inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-05 | — | — | CN | disclosed |