Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 4/20 | 0.48 |
| ▸ | SOS1 | Q07889 | 4/20 | 0.48 |
| ▸ | NNMT | P40261 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRE | P78334 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21494905 | 1.00 | KRAS (0.48) | KRASSOS1NNMTPDE4APDE4D | |
| SCHEMBL29926561 | 0.84 | KRAS (0.52) | KRASSOS1PDE4APDE4DGABRP | |
| SCHEMBL21494871 | 0.84 | KRAS (0.52) | KRASSOS1PDE4APDE4DGABRP | |
| SCHEMBL25746374 | 0.80 | KRAS (0.48) | KRASSOS1NNMTPDE4APDE4D | |
| SCHEMBL30749447 | 0.80 | KRAS (0.48) | KRASSOS1NNMTGABRPGABRD | |
| SCHEMBL31391414 | 0.80 | KRAS (0.48) | KRASSOS1NNMTPDE4APDE4D | |
| SCHEMBL30754558 | 0.79 | TOP1 (0.32) | KRASSOS1 | |
| SCHEMBL27093848 | 0.79 | TOP1 (0.32) | KRASSOS1 | |
| SCHEMBL24800366 | 0.76 | ALDH1A1 (0.35) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL21494875 | 0.76 | KRAS (0.33) | KRASSOS1 |
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-115315424-A | 2-methyl-aza-quinazolines | 拜耳公司 | 2022-11-08 | — | — | CN | disclosed |