Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 7/20 | 0.47 |
| ▸ | APP | P05067 | 4/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | ULK1 | O75385 | 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 | |
|---|---|---|---|---|
| SCHEMBL29230173 | 1.00 | SOS1 (0.47) | SOS1APPABCG2MAPK1CA12 | |
| SCHEMBL30944934 | 0.86 | SOS1 (0.59) | SOS1APPABCG2NPY5REGFR | |
| SCHEMBL29230206 | 0.86 | SOS1 (0.59) | SOS1APPABCG2NPY5REGFR | |
| SCHEMBL29230121 | 0.81 | EGFR (0.56) | APPABCG2EGFR | |
| SCHEMBL30944947 | 0.81 | EGFR (0.56) | APPABCG2EGFR | |
| SCHEMBL29230187 | 0.80 | ABCG2 (0.48) | ABCG2 | |
| SCHEMBL30944989 | 0.80 | ABCG2 (0.48) | ABCG2 | |
| SCHEMBL30945004 | 0.78 | PIN1 (0.50) | — | |
| SCHEMBL30944990 | 0.78 | NPY5R (0.52) | APPMAPK1NPY5R | |
| SCHEMBL29230125 | 0.78 | NPY5R (0.52) | APPMAPK1NPY5R |
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-118146151-A | 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2024-06-07 | — | — | CN | disclosed |