Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 13/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | KDM4B | O94953 | 1/20 | 0.42 |
| ▸ | KDM5C | P41229 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1415174 | 0.75 | ALDH1A1 (0.52) | ALDH1A1PARP1PDPK1CA12ALOX15 | |
| SCHEMBL2272870 | 0.75 | PARP1 (0.39) | ALDH1A1PARP1PDPK1CA12ALOX15 | |
| SCHEMBL906665 | 0.71 | ALDH1A1 (0.52) | ALDH1A1PARP1PDPK1CA12ALOX15 | |
| SCHEMBL8237226 | 0.71 | PARP1 (0.47) | ALDH1A1PARP1PDPK1CA12ALOX15 | |
| SCHEMBL1374558 | 0.70 | PRKCI (0.44) | ALDH1A1PARP1PDPK1CA12ALOX15 | |
| SCHEMBL25194691 | 0.68 | SMN1; SMN2 (0.48) | ALDH1A1PARP1PDPK1CA12ALOX15 | |
| Hypoxanthine SCHEMBL17457034 | 0.67 | ALDH1A1 (0.62) | ALDH1A1PDPK1SLC2A1 | |
| SCHEMBL14494444 | 0.67 | PDE3B (0.44) | — | |
| Hypoxanthine SCHEMBL7037918 | 0.66 | ALDH1A1 (1.00) | ALDH1A1PDPK1SMN1; SMN2CHEK1RPS6KA3 | |
| Hypoxanthine SCHEMBL25381 | 0.66 | ALDH1A1 (1.00) | ALDH1A1PDPK1SMN1; SMN2CHEK1RPS6KA3 |
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 |