Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 2/20 | 0.33 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20439457 | 0.82 | CYP3A4 (0.44) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL23640799 | 0.79 | NOS2 (0.32) | — | |
| SCHEMBL5381460 | 0.75 | CYP3A4 (0.46) | ESR2ESR1CYP3A4CHRM1ALOX15 | |
| SCHEMBL27424589 | 0.71 | ESR1 (0.40) | ESR2ESR1SLC22A6SLC22A8CYP3A4 | |
| SCHEMBL20169602 | 0.69 | CXCR5 (0.37) | — | |
| SCHEMBL22242785 | 0.69 | ESR2 (0.42) | ESR2ESR1SLC22A6SLC22A8ALOX15 | |
| SCHEMBL27700509 | 0.69 | CXCR5 (0.37) | — | |
| SCHEMBL14143245 | 0.68 | — | — | |
| SCHEMBL9742123 | 0.66 | CNR2 (0.41) | ESR2ESR1CYP3A4 | |
| SCHEMBL9742118 | 0.66 | CNR2 (0.41) | ESR2ESR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018140514-A1 | 1-(6-(3-HYDROXYNAPHTHALEN-1-YL)QUINAZOLIN-2-YL)AZETIDIN-1-YL)PROP-2-EN-1-ONE DERIVATIVES AND SIMILAR COMPOUNDS AS KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER | ARAXES PHARMA LLC (US) | 2018-08-02 | — | — | WO | disclosed |