Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.55 |
| ▸ | BTK | Q06187 | 1/20 | 0.55 |
| ▸ | PI4KA | P42356 | 2/20 | 0.54 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.54 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.54 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 4/20 | 0.46 |
| ▸ | AKT2 | P31751 | 4/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 5/20 | 0.45 |
| ▸ | SRC | P12931 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30041613 | 1.00 | EGFR (0.55) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL19362509 | 0.93 | EGFR (0.59) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL29617733 | 0.93 | EGFR (0.59) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL21807058 | 0.93 | EGFR (0.59) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL19463908 | 0.92 | EGFR (0.58) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL31037237 | 0.92 | EGFR (0.58) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL29886844 | 0.89 | EGFR (0.50) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL1501671 | 0.89 | EGFR (0.50) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL29887032 | 0.89 | PI4KA (0.48) | EGFRBTKPI4KAPI4K2BPI4K2A | |
| SCHEMBL30563703 | 0.89 | EGFR (0.50) | EGFRBTKPI4KAPI4K2BPI4K2A |
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 |