Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 8/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL23640322 | 0.84 | PTPN1 (0.43) | ALDH1A1HPGDMEN1KMT2ALCK | |
| SCHEMBL30178354 | 0.81 | CA12 (0.48) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL732139 | 0.81 | CA12 (0.48) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL13573125 | 0.81 | CA1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL3914003 | 0.80 | KDM4E (0.53) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL4028463 | 0.79 | ERN1 (0.56) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL3871771 | 0.79 | KDM4E (0.52) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL19203353 | 0.79 | CSNK2A1 (0.52) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| Hydrochloric Acid SCHEMBL3914780 | 0.79 | KDM4E (0.52) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 | |
| SCHEMBL24895100 | 0.78 | MPL (0.50) | ALDH1A1KDM4EHPGDHSD17B10CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022068921-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-04-07 | — | — | WO | disclosed |