Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | HTR7 | P34969 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CYBB | P04839 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.30 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309606 | 1.00 | HTR1A (0.35) | HTR1AHTR7DRD2HTR6FLT4 | |
| SCHEMBL24309621 | 0.86 | HTR1A (0.37) | HTR1AHTR7DRD2HTR6 | |
| SCHEMBL24309547 | 0.85 | HTR1A (0.37) | HTR1AHTR7MALT1ALDH1A1PTPN11 | |
| SCHEMBL29566455 | 0.85 | HTR1A (0.37) | HTR1AHTR7MALT1ALDH1A1PTPN11 | |
| SCHEMBL24309607 | 0.84 | HTR1A (0.37) | HTR1AHTR7DRD2HTR6 | |
| SCHEMBL24310169 | 0.82 | FLT4 (0.31) | FLT4KDRCNR2 | |
| SCHEMBL24310647 | 0.81 | HTR1A (0.33) | HTR1AHTR7KDRMALT1ALDH1A1 | |
| SCHEMBL24309573 | 0.79 | HTR1A (0.38) | HTR1AHTR7KDRMALT1ALDH1A1 | |
| SCHEMBL26808526 | 0.79 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6FLT4 | |
| SCHEMBL26811982 | 0.79 | HTR1A (0.35) | HTR1AHTR7DRD2HTR6FLT4 |
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 |