Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.47 |
| ▸ | DRD1 | P21728 | 8/20 | 0.47 |
| ▸ | DRD5 | P21918 | 8/20 | 0.47 |
| ▸ | DRD3 | P35462 | 7/20 | 0.47 |
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18902623 | 0.82 | MAOA (0.41) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL20314872 | 0.79 | DRD2 (0.45) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL29310333 | 0.79 | MAOA (0.41) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL22859078 | 0.79 | MAOA (0.41) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL22859090 | 0.78 | MAOA (0.38) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL23735746 | 0.77 | DRD2 (0.42) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL29310058 | 0.76 | MAOA (0.39) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL17815391 | 0.76 | DRD1 (0.51) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL17462531 | 0.75 | NOTUM (0.42) | — | |
| SCHEMBL24277006 | 0.73 | DRD2 (0.47) | DRD2DRD1DRD5DRD3DRD4 |
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 |