Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | PARG | Q86W56 | 3/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.30 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALK | Q9UM73 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309462 | 0.84 | PDPK1 (0.40) | NLRP3MALT1PDPK1SLC6A9 | |
| SCHEMBL29567139 | 0.84 | PDPK1 (0.40) | NLRP3MALT1PDPK1SLC6A9 | |
| SCHEMBL24309266 | 0.74 | NLRP3 (0.41) | PTPN11NLRP3MALT1CYP3A4 | |
| SCHEMBL24310052 | 0.74 | SLC6A9 (0.39) | NAMPTNLRP3PARGMALT1PTGER3 | |
| SCHEMBL29566797 | 0.74 | SLC6A9 (0.39) | NAMPTNLRP3PARGMALT1PTGER3 | |
| SCHEMBL29566879 | 0.70 | PDPK1 (0.41) | NLRP3PDPK1 | |
| SCHEMBL24309463 | 0.70 | PDPK1 (0.41) | NLRP3PDPK1 | |
| SCHEMBL29566520 | 0.68 | HTR1A (0.38) | NLRP3PDPK1 | |
| SCHEMBL24310459 | 0.67 | NLRP3 (0.36) | NAMPTNLRP3PARGMALT1PTGER3 | |
| SCHEMBL24309624 | 0.67 | TSHR (0.43) | CYP2C9 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |