Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | PARG | Q86W56 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.32 |
| ▸ | CDK2 | P24941 | 4/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.32 |
| ▸ | CDK1 | P06493 | 3/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 3/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310052 | 1.00 | SLC6A9 (0.39) | SLC6A9NLRP3MALT1PARGEGFR | |
| SCHEMBL24309266 | 0.83 | NLRP3 (0.41) | NLRP3MALT1EGFRFGFR1KDR | |
| SCHEMBL26810509 | 0.81 | SLC6A9 (0.36) | SLC6A9EGFRFGFR1KDR | |
| SCHEMBL24310472 | 0.81 | HTR1A (0.38) | SLC6A9NLRP3EGFRFGFR1KDR | |
| SCHEMBL24309462 | 0.80 | PDPK1 (0.40) | SLC6A9NLRP3MALT1EGFRFGFR1 | |
| SCHEMBL29567139 | 0.80 | PDPK1 (0.40) | SLC6A9NLRP3MALT1EGFRFGFR1 | |
| SCHEMBL26810510 | 0.79 | HTR1A (0.36) | NLRP3PARG | |
| SCHEMBL24309697 | 0.79 | NLRP3 (0.35) | SLC6A9NLRP3MALT1PARGKAT6A | |
| SCHEMBL26810493 | 0.78 | PIK3CG (0.34) | SLC6A9NLRP3PARGPIK3CA | |
| SCHEMBL24309306 | 0.77 | NLRP3 (0.38) | SLC6A9NLRP3MALT1EGFRFGFR1 |
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-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |