Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.51 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26884639 | 0.86 | ESR1 (0.63) | ESR1ESR2HSD17B3FLT3MAPT | |
| SCHEMBL3959232 | 0.76 | NQO2 (0.55) | ESR1ESR2MAPTKDM4EHSD17B10 | |
| SCHEMBL30080007 | 0.75 | NQO2 (0.54) | ESR1ESR2FLT3CA12CA1 | |
| SCHEMBL22275563 | 0.75 | NQO2 (0.54) | ESR1ESR2FLT3CA12CA1 | |
| SCHEMBL3849718 | 0.74 | CA3 (0.52) | ESR1ESR2CA9MAPTHTT | |
| SCHEMBL26886566 | 0.74 | CYP1A2 (0.43) | MAPTPKMSMN1; SMN2DAOMEN1 | |
| SCHEMBL20314903 | 0.71 | CA1 (0.37) | ESR1ESR2FLT3CA12CA1 | |
| SCHEMBL21610039 | 0.70 | ESR1 (0.43) | ESR1ESR2HSD17B3KDM4EESRRB | |
| SCHEMBL26736318 | 0.69 | CYP1A2 (0.41) | ESR1ESR2MAPTKDM4EHSD17B10 | |
| SCHEMBL13960115 | 0.69 | ESR1 (0.80) | ESR1ESR2 |
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 |