Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 4/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 6/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9930367 | 0.85 | CYP2C9 (0.57) | CYP2C9CYP3A4MAP2K1BRAFCYP2C19 | |
| SCHEMBL26401518 | 0.83 | MAP2K4 (0.43) | CYP2C9CYP3A4MAP2K1BRAFFABP4 | |
| SCHEMBL9931060 | 0.81 | BRAF (0.49) | CYP2C9CYP3A4MAP2K1BRAFCYP2C19 | |
| SCHEMBL10129554 | 0.80 | ACLY (0.44) | CYP2C9CYP3A4ACLYBRAFCYP2C19 | |
| SCHEMBL3019904 | 0.79 | BRAF (0.51) | MAP2K1BRAFFABP4CA2 | |
| SCHEMBL3017378 | 0.79 | CYP2C19 (0.60) | CYP2C9CYP3A4FABP4CYP2C19 | |
| SCHEMBL1492058 | 0.77 | CYP3A4 (0.60) | CYP2C9CYP3A4MAP2K1BRAFCYP2C19 | |
| SCHEMBL3026115 | 0.75 | CYP2D6 (0.46) | CYP3A4ACLYFABP4CA2 | |
| SCHEMBL1492020 | 0.75 | FABP4 (0.48) | BRAFFABP4 | |
| SCHEMBL3022486 | 0.74 | FABP4 (0.50) | ACLYBRAFFABP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023192901-A9 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023192901-A1 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |