Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.42 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17685493 | 0.89 | GRM5 (0.45) | NPC1RAB9AKDM4EGAAGRM5 | |
| Hydrochloric Acid SCHEMBL17685494 | 0.87 | NPC1 (0.48) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL2830798 | 0.83 | GRM5 (0.44) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL15663669 | 0.81 | GRM5 (0.44) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL1386509 | 0.81 | NPC1 (0.58) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL17685483 | 0.80 | GCK (0.49) | NPC1RAB9AKDM4EMAPTSMARCA2 | |
| Hydrochloric Acid SCHEMBL17685486 | 0.78 | GRM5 (0.47) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL15663450 | 0.77 | GRM5 (0.41) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL15664201 | 0.77 | GRM5 (0.41) | NPC1RAB9AKDM4EGAAGRM5 | |
| SCHEMBL2828434 | 0.75 | MAPT (0.50) | NPC1RAB9AKDM4EGAAMAPT |
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 |