Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 12/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17685488 | 0.88 | GRM5 (0.53) | GRM5CYP1A2CYP2C9KCNH2 | |
| SCHEMBL15663452 | 0.85 | GRM5 (0.52) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL1761124 | 0.82 | GRM5 (0.66) | GRM5CYP1A2CYP2C9KCNH2PDE10A | |
| SCHEMBL2826336 | 0.80 | GRM5 (0.70) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| Hydrochloric Acid SCHEMBL17685485 | 0.80 | PDE10A (0.42) | GRM5NPC1RAB9ASMN1; SMN2PDE10A | |
| Hydrochloric Acid SCHEMBL17685480 | 0.79 | PDE10A (0.36) | GRM5PDE10A | |
| SCHEMBL17685493 | 0.78 | GRM5 (0.45) | GRM5CYP3A4SLC6A3NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL17685482 | 0.76 | KMT2A (0.45) | NPC1RAB9ASMN1; SMN2PDE10A | |
| SCHEMBL15663677 | 0.75 | GRM5 (0.54) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 | |
| SCHEMBL15663519 | 0.72 | GRM5 (0.41) | GRM5CYP1A2CYP2C9KCNH2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1858862-B1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2016-04-20 | — | — | EP | claimed |