Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | STAT6 | P42226 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24448772 | 0.94 | GAA (0.38) | SIGMAR1ALDH1A1STAT6SMN1; SMN2GAA | |
| SCHEMBL20314964 | 0.74 | GAA (0.44) | ALDH1A1SMN1; SMN2CHRM5CHRM3GAA | |
| SCHEMBL22278103 | 0.71 | GAA (0.40) | ALDH1A1STAT6SMN1; SMN2CHRM5CHRM3 | |
| SCHEMBL24448727 | 0.71 | GAA (0.33) | ALDH1A1GAA | |
| SCHEMBL24448406 | 0.71 | GAA (0.33) | ALDH1A1CHRM5CHRM3GAA | |
| SCHEMBL10248697 | 0.69 | — | — | |
| SCHEMBL31271162 | 0.68 | GAA (0.41) | ALDH1A1STAT6SMN1; SMN2GAANPC1 | |
| SCHEMBL14487492 | 0.68 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1SMN1; SMN2CHRM5CHRM3 | |
| SCHEMBL24331648 | 0.67 | ALDH1A1 (0.50) | ALDH1A1STAT6SMN1; SMN2CHRM5CHRM3 | |
| SCHEMBL19941602 | 0.65 | CHRM5 (0.43) | SIGMAR1ALDH1A1STAT6SMN1; SMN2CHRM5 |
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-3558955-B1 | BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER | AMGEN INC (US) | 2021-08-11 | — | — | EP | disclosed |