Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 1/20 | 0.43 |
| ▸ | HEXB | P07686 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16701338 | 0.93 | HEXA (0.46) | HEXAHEXBMKNK1MKNK2PLAU | |
| SCHEMBL12137851 | 0.83 | ADORA2A (0.51) | TNK2MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL16703371 | 0.83 | RAF1 (0.45) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL28152086 | 0.81 | DHFR (0.47) | TNK2DHFR | |
| SCHEMBL28151073 | 0.81 | ADORA2A (0.51) | TNK2MAPK13MAPK9MAPK12MAPK11 | |
| SCHEMBL28152107 | 0.77 | ADORA2A (0.53) | MAPK13MAPK9MAPK12MAPK11MAPK14 | |
| SCHEMBL28152025 | 0.77 | HRH3 (0.53) | HEXAHEXBTNK2DHFR | |
| SCHEMBL28267193 | 0.74 | HRH3 (0.53) | HEXAHEXBTNK2DHFR | |
| SCHEMBL27631813 | 0.73 | HEXA (0.51) | HEXAHEXBMKNK1MKNK2PLAU | |
| SCHEMBL27942788 | 0.72 | HEXA (0.54) | HEXAHEXBMKNK1MKNK2PLAU |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015069752-A9 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-07-09 | — | — | WO | disclosed |
| WO-2015069752-A1 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-14 | — | — | WO | disclosed |