Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 2/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309788 | 0.89 | GCK (0.36) | CYP1A2CYP2C9CYP2C19MAPK1TNK2 | |
| SCHEMBL24310580 | 0.81 | GPR119 (0.40) | CYP1A2CYP2C9CYP2C19USP2ALDH1A1 | |
| SCHEMBL24309828 | 0.81 | AXL (0.33) | TSHRTNK2TYRO3SMN1; SMN2 | |
| SCHEMBL26807627 | 0.80 | GPR119 (0.39) | CYP1A2CYP2C9CYP2C19USP2ALDH1A1 | |
| SCHEMBL24310334 | 0.80 | WNT1 (0.32) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309698 | 0.79 | CDK4 (0.37) | HRH3 | |
| SCHEMBL24309680 | 0.79 | IRAK4 (0.33) | — | |
| SCHEMBL24309693 | 0.79 | IRAK4 (0.33) | — | |
| SCHEMBL24309307 | 0.78 | AXL (0.34) | TYRO3AURKB | |
| SCHEMBL24309787 | 0.76 | MAPT (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1 |
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 |