Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20334577 | 0.83 | CYP2D6 (0.39) | — | |
| SCHEMBL20314945 | 0.83 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL21610040 | 0.79 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL21567347 | 0.78 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL20334575 | 0.77 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL20326303 | 0.74 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL21610076 | 0.72 | CASP1 (0.30) | — | |
| SCHEMBL18909575 | 0.72 | CHRM2 (0.34) | ALDH1A1 | |
| SCHEMBL22880898 | 0.71 | — | — | |
| SCHEMBL20416122 | 0.69 | TSHR (0.39) | ALDH1A1 |
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 2 patents. 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 |
| WO-2018119183-A2 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. (US) | 2018-06-28 | — | — | WO | disclosed |