Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.41 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623383 | 0.81 | ESR2 (0.52) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL12962944 | 0.79 | CYP1A2 (0.52) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL22275374 | 0.79 | NQO2 (0.54) | CYP3A4ALOX15LMNAALDH1A1ESR1 | |
| SCHEMBL21240955 | 0.79 | CYP2A6 (0.54) | CYP3A4POLBLMNANPFFR1NPFFR2 | |
| SCHEMBL24448635 | 0.76 | ESR1 (0.39) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL30077833 | 0.76 | NQO2 (0.36) | CYP3A4ALOX15ALDH1A1ESR1ESR2 | |
| SCHEMBL20315029 | 0.76 | GABRA1 (0.42) | LMNAALDH1A1ESR1ESR2CYP2A6 | |
| SCHEMBL11216337 | 0.76 | ESR1 (0.55) | CYP3A4ALOX15LMNAESR1ESR2 | |
| SCHEMBL12822316 | 0.74 | CYP2A6 (0.39) | CYP3A4POLBLMNANPFFR1NPFFR2 | |
| SCHEMBL22435494 | 0.73 | POLB (0.41) | CYP3A4POLBLMNANPFFR1NPFFR2 |
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 |