Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3253637 | 0.77 | CYSLTR1 (0.55) | CYSLTR1CYSLTR2GPBAR1CYP1A2HDAC1 | |
| SCHEMBL5966250 | 0.76 | CYSLTR1 (0.49) | CYSLTR1CYSLTR2CA12CA9GPBAR1 | |
| Hydrochloric Acid SCHEMBL27514003 | 0.76 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2GPBAR1CYP1A2HDAC1 | |
| SCHEMBL1779691 | 0.76 | CYSLTR1 (0.49) | CYSLTR1CYSLTR2CA12CA9GPBAR1 | |
| SCHEMBL1078145 | 0.76 | MEN1 (0.59) | CYSLTR1CYSLTR2CA12CA9GPBAR1 | |
| SCHEMBL3950944 | 0.76 | KCNH2 (0.61) | CYSLTR1CYSLTR2GPBAR1CYP1A2FFAR1 | |
| SCHEMBL29035750 | 0.76 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2GPBAR1CYP1A2HDAC1 | |
| SCHEMBL349015 | 0.76 | CYP1A2 (0.49) | CYSLTR1CYSLTR2CA12CA9GPBAR1 | |
| Hydrochloric Acid SCHEMBL28157005 | 0.74 | CYSLTR1 (0.51) | CYSLTR1CYSLTR2GPBAR1CYP1A2HDAC1 | |
| Bromide SCHEMBL27610232 | 0.74 | CYSLTR1 (0.47) | CYSLTR1CYSLTR2CA12CA9GPBAR1 |
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-1765795-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Addex Pharmaceuticals SA (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005123703-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2005-12-29 | — | — | WO | disclosed |