Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.33 |
| ▸ | CASP7 | P55210 | 3/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13696505 | 1.00 | CASP3 (0.33) | CASP3CASP7PDK1PDK2PDK3 | |
| SCHEMBL12762316 | 1.00 | CASP3 (0.33) | CASP3CASP7PDK1PDK2PDK3 | |
| SCHEMBL13709648 | 1.00 | CASP3 (0.33) | CASP3CASP7PDK1PDK2PDK3 | |
| SCHEMBL15800377 | 1.00 | CASP3 (0.33) | CASP3CASP7PDK1PDK2PDK3 | |
| SCHEMBL16221560 | 1.00 | CASP3 (0.33) | CASP3CASP7PDK1PDK2PDK3 | |
| SCHEMBL23267617 | 1.00 | CASP3 (0.33) | CASP3CASP7PDK1PDK2PDK3 | |
| SCHEMBL27363670 | 0.86 | — | — | |
| SCHEMBL23158051 | 0.86 | — | — | |
| SCHEMBL4740610 | 0.84 | NOS1 (0.33) | — | |
| SCHEMBL26304051 | 0.84 | PDK1 (0.33) | PDK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4223761-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2023-08-09 | — | — | EP | disclosed |