Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7227661 | 0.85 | CYP3A4 (0.44) | CYP3A4PDE10AMAPTSCN8AALDH1A1 | |
| SCHEMBL7207277 | 0.84 | MAPT (0.45) | CYP3A4PDE10AMAPTSCN8AALDH1A1 | |
| SCHEMBL7225702 | 0.83 | MAPT (0.46) | CYP3A4PDE10AMAPTAHRALDH1A1 | |
| SCHEMBL7221174 | 0.83 | MAPT (0.45) | PDE10AMAPTPDPK1ALDH1A1KDM4E | |
| SCHEMBL7219899 | 0.72 | MAPT (0.42) | CYP3A4MAPTPDPK1ALDH1A1KDM4E | |
| SCHEMBL23610028 | 0.71 | GAA (0.51) | CYP3A4PDE10AMAPTSCN8AALDH1A1 | |
| SCHEMBL9771056 | 0.71 | GAA (0.51) | CYP3A4PDE10AMAPTSCN8AALDH1A1 | |
| SCHEMBL31143633 | 0.71 | GAA (0.51) | CYP3A4PDE10AMAPTSCN8AALDH1A1 | |
| SCHEMBL31143628 | 0.71 | GAA (0.51) | CYP3A4PDE10AMAPTSCN8AALDH1A1 | |
| SCHEMBL30392768 | 0.71 | GAA (0.51) | CYP3A4PDE10AMAPTSCN8AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6608085-B1 | Administering for neuroprotection | VERNALIS RESEARCH LIMITED (GB) | 2003-08-19 | — | — | US | disclosed |
| US-6583156-B1 | Particularly adenosine A2A receptors; neurodegenerative disorders; 2,8-bis(trifluoromethyl)-alpha -(3-thienyl)-4-quinolinemethanol | VERNALIS RESEARCH LIMITED (GB) | 2003-06-24 | — | — | US | disclosed |
| EP-1107761-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (II) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013682-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS.(II) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |