Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25811635 | 0.87 | HTR2A (0.34) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL24697343 | 0.83 | GABRA1 (0.44) | ALDH1A1 | |
| SCHEMBL25826783 | 0.79 | MEN1 (0.38) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL25811577 | 0.76 | GABRA1 (0.36) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL1538525 | 0.70 | ALDH1A1 (0.45) | ALDH1A1MCL1TDP1CYP1A2 | |
| SCHEMBL24757921 | 0.69 | CYP1A1 (0.39) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL25811637 | 0.67 | HTR2A (0.37) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL25822334 | 0.67 | HTR2A (0.34) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL2052079 | 0.66 | ALDH1A1 (0.61) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 | |
| SCHEMBL29530611 | 0.66 | ALDH1A1 (0.61) | ALDH1A1MEN1DNMT1CACNA1BAPBA1 |
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-2023125989-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |