Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 13/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20744801 | 1.00 | BTK (0.49) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20754366 | 0.91 | CYP1A2 (0.59) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21806807 | 0.91 | CYP1A2 (0.59) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL864640 | 0.88 | BTK (0.56) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20744771 | 0.83 | CYP1A2 (0.43) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20744769 | 0.83 | CYP1A2 (0.43) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20754258 | 0.80 | CYP1A2 (0.58) | BTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22230740 | 0.80 | BTK (0.62) | BTKLCKSRCKDRPRKD3 | |
| SCHEMBL29441905 | 0.80 | BTK (0.62) | BTKLCKSRCKDRPRKD3 | |
| SCHEMBL20754254 | 0.79 | BTK (0.39) | BTKRET |
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 |
|---|---|---|---|---|---|---|---|
| EP-3668875-A1 | CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO | Vyera Pharmaceuticals, LLC (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019036001-A1 | CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO | Vyera Pharmaceuticals, LLC (US) | 2019-02-21 | — | — | WO | disclosed |