Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.31 |
| ▸ | CLK3 | P49761 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL26807654 | 0.86 | HRH3 (0.37) | HRH3HRH1GRM4TTKWNT1 | |
| SCHEMBL29566813 | 0.86 | HRH3 (0.37) | HRH3HRH1GRM4TTKWNT1 | |
| SCHEMBL24309634 | 0.84 | CACNA1B (0.33) | — | |
| SCHEMBL24309811 | 0.82 | HRH3 (0.40) | HRH3HRH1TTKWNT1CLK2 | |
| SCHEMBL24309690 | 0.81 | HRH3 (0.39) | HRH3HRH1TTKWNT1CLK2 | |
| SCHEMBL26807622 | 0.72 | HRH3 (0.43) | HRH3HRH1TTKCSF1R | |
| SCHEMBL26810541 | 0.71 | HRH3 (0.39) | HRH3HRH1TTKWNT1CLK2 | |
| SCHEMBL26807733 | 0.71 | HRH3 (0.42) | HRH3HRH1TTKCSF1R | |
| SCHEMBL26807731 | 0.71 | HRH3 (0.39) | HRH3HRH1TTKWNT1CLK2 | |
| SCHEMBL29567582 | 0.69 | HTR1A (0.38) | — |
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 |