Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 19/20 | 0.76 |
| ▸ | MAP2K2 | P36507 | 17/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ACTR3 | P61158 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CPS1 | P31327 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23707602 | 0.90 | MAP2K1 (0.66) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL18968395 | 0.90 | MAP2K1 (0.62) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL29413551 | 0.86 | MAP2K1 (1.00) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL189188 | 0.86 | MAP2K1 (1.00) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL18968387 | 0.86 | MAP2K1 (0.58) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| Hydrochloric Acid SCHEMBL29413470 | 0.85 | MAP2K1 (0.98) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL18968425 | 0.85 | MAP2K1 (0.57) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL18968032 | 0.85 | MAP2K2 (0.57) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL23398087 | 0.85 | MAP2K2 (0.70) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL18968353 | 0.84 | MAP2K1 (0.56) | MAP2K1MAP2K2CHRM2CHRM1BRAF |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023159184-A1 | DRUG COMBINATIONS AND METHODS OF TREATING OVARIAN CANCER | Pattern Computer, Inc. (US) | 2023-08-24 | — | — | WO | disclosed |
| WO-2023078881-A1 | NOVEL USE OF QUINAZOLINONE COMPOUND FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2023-05-11 | — | — | WO | disclosed |
| WO-2020187674-A1 | CRYSTALLINE (S)-[3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)PHENYL][3-HYDROXY-3-(PIPERIDIN-2-YL)AZETIDIN-1-YL]METHANONE HEMISUCCINATE | SANDOZ AG (CH) | 2020-09-24 | — | — | WO | disclosed |