Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL82538 | 0.79 | TAAR1 (0.43) | RAB9AADORA2AADORA1TAAR1ALDH1A1 | |
| SCHEMBL11091944 | 0.77 | KCNH2 (0.52) | KCNH2RAB9ATAAR1ALDH1A1HPGD | |
| Water SCHEMBL10981448 | 0.77 | TAAR1 (0.42) | RAB9AADORA2AADORA1TAAR1ALDH1A1 | |
| Methane SCHEMBL28186549 | 0.76 | KCNH2 (0.50) | KCNH2RAB9ATAAR1ALDH1A1HPGD | |
| Fluoride SCHEMBL28059937 | 0.76 | TAAR1 (0.41) | RAB9AADORA2AADORA1TAAR1ALDH1A1 | |
| SCHEMBL5703443 | 0.72 | GRM5 (0.51) | DHFRKCNH2GRM5RAB9AALDH1A1 | |
| SCHEMBL3888886 | 0.71 | CALM1 (0.50) | KCNH2TAAR1FFAR1FFAR4ALDH1A1 | |
| SCHEMBL103845 | 0.70 | GRM5 (0.60) | KCNH2GRM5FFAR1FFAR4 | |
| SCHEMBL28094600 | 0.69 | TAAR1 (0.53) | ADORA2AADORA1TAAR1ALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL28186507 | 0.68 | KCNH2 (0.41) | KCNH2GRM5FFAR1ALDH1A1 |
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 |