Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 3/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL25779493 | 0.83 | CYP1A2 (0.37) | CYP1A2SIGMAR1ALDH1A1TDP1 | |
| SCHEMBL25779438 | 0.83 | CYP1A2 (0.37) | CYP1A2SIGMAR1ALDH1A1TDP1 | |
| SCHEMBL21701429 | 0.83 | CYP1A2 (0.37) | CYP1A2SIGMAR1ALDH1A1TDP1 | |
| SCHEMBL466148 | 0.80 | ARG1 (0.36) | CYP1A2NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL466147 | 0.80 | ARG1 (0.36) | CYP1A2NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL15798281 | 0.80 | ARG1 (0.36) | CYP1A2NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL466181 | 0.80 | ARG1 (0.36) | CYP1A2NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL905661 | 0.80 | CYP1A2 (0.70) | CYP1A2NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL7741556 | 0.80 | CYP1A2 (0.70) | CYP1A2NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL97288 | 0.80 | CYP1A2 (0.70) | CYP1A2NOS3NOS1NOS2SIGMAR1 |
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 |