Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1383292 | 0.83 | NPC1 (0.41) | SMN1; SMN2KDM4EALDH1A1LMNAHTT | |
| SCHEMBL2830071 | 0.82 | GRM5 (0.39) | SMN1; SMN2KDM4EALDH1A1LMNAHTT | |
| Hydrochloric Acid SCHEMBL17685485 | 0.73 | PDE10A (0.42) | SMN1; SMN2KDM4EALDH1A1LMNAHTT | |
| Hydrochloric Acid SCHEMBL17685487 | 0.73 | NAMPT (0.39) | SMN1; SMN2KDM4EALDH1A1LMNANPC1 | |
| SCHEMBL2831219 | 0.71 | NPC1 (0.37) | GCKSMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL15663568 | 0.71 | PDE10A (0.40) | SMN1; SMN2KDM4EALDH1A1LMNAHTT | |
| SCHEMBL2826482 | 0.70 | NPC1 (0.40) | SMN1; SMN2KDM4EALDH1A1LMNAHTT | |
| SCHEMBL2831104 | 0.70 | GRM5 (0.37) | SMN1; SMN2KDM4ELMNAHTTNPC1 | |
| SCHEMBL12595507 | 0.69 | NPC1 (0.46) | SMN1; SMN2ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL5202051 | 0.69 | PDE10A (0.56) | SMN1; SMN2NPC1RAB9AMAPTHPGDS |
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 |