Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309438 | 0.87 | GABRG2 (0.30) | HTR1ASLC6A2SLC6A4 | |
| SCHEMBL24310784 | 0.84 | MAP3K7 (0.32) | MAP3K7MAPK1MAP2K1 | |
| SCHEMBL24309648 | 0.83 | CDK1 (0.34) | SCDMAP3K7MAPK1MAP2K1 | |
| SCHEMBL24310762 | 0.80 | MAP4K1 (0.36) | — | |
| SCHEMBL24309901 | 0.80 | IGF1R (0.33) | SCDMAP3K7MAPK1MAP2K1 | |
| SCHEMBL24309427 | 0.79 | HTR1A (0.40) | SCDMAP3K7MAPK1MAP2K1HTR1A | |
| SCHEMBL29567055 | 0.79 | HTR1A (0.40) | SCDMAP3K7MAPK1MAP2K1HTR1A | |
| SCHEMBL24309830 | 0.77 | IGF1R (0.32) | MAP3K7MAPK1MAP2K1 | |
| SCHEMBL24309917 | 0.76 | MAPK14 (0.33) | — | |
| SCHEMBL24310179 | 0.76 | IGF1R (0.31) | — |
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 |