Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | HTR7 | P34969 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 7/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309394 | 1.00 | CDK2 (0.40) | CDK2CCNA2HTR1AHTR7PTGS1 | |
| SCHEMBL26814483 | 0.99 | CDK2 (0.39) | CDK2CCNA2HTR1AHTR7PTGS1 | |
| SCHEMBL26806489 | 0.94 | CCNA2 (0.42) | CDK2CCNA2HTR1AHTR7MAP4K1 | |
| SCHEMBL26814726 | 0.91 | CCNA2 (0.40) | CDK2CCNA2HTR1AHTR7MAP4K1 | |
| SCHEMBL26814643 | 0.90 | MKNK1 (0.37) | CDK2CCNA2HTR1AHTR7MAP4K1 | |
| SCHEMBL26814821 | 0.90 | CCNA2 (0.36) | CDK2CCNA2HTR1AHTR7MAP4K1 | |
| SCHEMBL26857014 | 0.89 | PTGS2 (0.37) | HTR1AHTR7PTGS1PTGS2AXL | |
| SCHEMBL26814536 | 0.89 | PIK3CD (0.36) | HTR1AHTR7MAP4K1JAK1PIK3CD | |
| SCHEMBL26814500 | 0.88 | HTR1A (0.36) | HTR1AHTR7MAP4K1PIK3CDPIK3CB | |
| SCHEMBL26814517 | 0.86 | SMN1; SMN2 (0.38) | HTR1AHTR7MAP4K1PIK3CDPIK3CB |
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 |