Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WNT1 | P04628 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | GPR39 | O43194 | 1/20 | 0.32 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309788 | 0.89 | GCK (0.36) | GPR39CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL24309634 | 0.82 | CACNA1B (0.33) | GPR39MAPT | |
| SCHEMBL24309397 | 0.81 | HTR1A (0.40) | WNT1GSK3BDYRK1AIRAK1KDM1A | |
| SCHEMBL29566328 | 0.81 | HTR1A (0.40) | WNT1GSK3BDYRK1AIRAK1KDM1A | |
| SCHEMBL24310349 | 0.80 | GPR39 (0.35) | GPR39CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL24310582 | 0.80 | CYP1A2 (0.34) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309688 | 0.80 | MAPK1 (0.46) | GPR39CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL24309787 | 0.78 | MAPT (0.36) | GPR39CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL24309828 | 0.77 | AXL (0.33) | — | |
| SCHEMBL24310347 | 0.76 | GPR39 (0.39) | GPR39CYP1A2MAPTCYP2C9CYP2C19 |
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 |