Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219919 | 0.82 | GABRA1 (0.42) | MEN1KMT2AGABRA1GABRB2KCNH2 | |
| SCHEMBL2790491 | 0.81 | KCNH2 (0.46) | KCNH2CYP2D6KDM4EALDH1A1CYP1A2 | |
| SCHEMBL6806506 | 0.80 | ELANE (0.47) | MEN1KMT2AELANEKDM4EALDH1A1 | |
| SCHEMBL11836535 | 0.77 | NT5E (0.46) | MEN1KMT2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7235527 | 0.77 | TNKS (0.44) | MEN1KMT2AKDM4EALDH1A1MAPT | |
| SCHEMBL18015835 | 0.76 | GABRA1 (0.39) | MEN1KMT2AGABRA1GABRB2PTGS2 | |
| SCHEMBL10175205 | 0.76 | CYP2D6 (0.50) | MEN1KMT2AKCNH2CYP2D6KDM4E | |
| SCHEMBL6918746 | 0.75 | ALDH1A1 (0.41) | KCNH2CYP2D6KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7234880 | 0.74 | ADORA2A (0.63) | MEN1KMT2AKCNH2CYP2D6KDM4E | |
| SCHEMBL9829082 | 0.71 | PDE4B (0.42) | MEN1KMT2AKDM4EALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-1107760-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013681-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |