Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GSK3A | P49840 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12468821 | 0.82 | HRH3 (0.66) | HRH3L3MBTL1GSK3BCYP1A2CYP2C19 | |
| SCHEMBL12469075 | 0.81 | HRH3 (0.64) | HRH3GSK3BGSK3AMAPK1 | |
| SCHEMBL12469067 | 0.79 | HRH3 (0.61) | HRH3 | |
| SCHEMBL12468829 | 0.78 | HRH3 (0.62) | HRH3GSK3BCYP1A2CYP2C19 | |
| SCHEMBL12469133 | 0.77 | HRH3 (0.64) | HRH3L3MBTL1GSK3BCYP1A2CYP2C19 | |
| SCHEMBL12469429 | 0.77 | HRH3 (0.64) | HRH3GSK3BCYP1A2CYP2C19NPC1 | |
| SCHEMBL15347831 | 0.76 | HRH3 (0.60) | HRH3 | |
| SCHEMBL12468760 | 0.76 | HRH3 (0.56) | HRH3L3MBTL1GSK3BCYP1A2CYP2C19 | |
| SCHEMBL15431854 | 0.75 | HRH3 (0.61) | HRH3 | |
| SCHEMBL12468948 | 0.75 | GSK3B (0.56) | HRH3GSK3BCYP1A2CYP2C19GSK3A |
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-2012051601-A2 | HETEROARYLTHIO COMPOUNDS | EPIOMED THERAPEUTICS, INC. (US) | 2012-04-19 | — | — | WO | claimed |