Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SDHB | P21912 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309256 | 1.00 | HTR1A (0.39) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL24309239 | 0.88 | CCNT1 (0.40) | TSHRKMT2APIK3CDPIK3CBMTOR | |
| SCHEMBL29566741 | 0.87 | HTR1A (0.43) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL24309750 | 0.87 | HTR1A (0.43) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL24309726 | 0.84 | HTR1A (0.43) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL29566619 | 0.84 | HTR1A (0.43) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL24309266 | 0.83 | NLRP3 (0.41) | HTR1AHTR7TSHRKMT2AKDM4E | |
| SCHEMBL24309875 | 0.81 | HTR1A (0.39) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL24309379 | 0.81 | HTR1A (0.39) | HTR1AHTR7TSHRKMT2ARXFP1 | |
| SCHEMBL24309824 | 0.79 | BRAF (0.40) | HTR1AHTR7TSHRKMT2ARXFP1 |
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 |