Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29499840 | 0.83 | GAA (0.58) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL1350804 | 0.83 | GAA (0.58) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL21852902 | 0.82 | CES2 (0.55) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL18291815 | 0.81 | ALDH1A1 (0.56) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL1451777 | 0.79 | MAPT (0.57) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL1996550 | 0.79 | CES2 (0.72) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL29540816 | 0.79 | MAPT (0.57) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL30481870 | 0.79 | CES2 (0.72) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL20810 | 0.78 | ALDH1A1 (0.71) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL2477164 | 0.78 | CES2 (0.50) | CES2ALDH1A1HPGDHSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609085-A1 | SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025238-A1 | SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-03-01 | — | — | WO | disclosed |