Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GCK | P35557 | 11/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1691027 | 0.77 | MAPT (0.55) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL5207892 | 0.71 | METAP1 (0.44) | NPC1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL4911124 | 0.70 | METAP1 (0.47) | NPC1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL27333980 | 0.67 | GLS (0.52) | NPC1RAB9AALDH1A1GAAKMT2A | |
| SCHEMBL27323009 | 0.67 | MAPK1 (0.62) | NPC1RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL27320005 | 0.66 | HTT (0.60) | NPC1RAB9AGAAKMT2AMAPT | |
| SCHEMBL8918968 | 0.65 | HTT (0.50) | NPC1RAB9AGAAKMT2AMAPT | |
| SCHEMBL27321055 | 0.65 | GAA (0.49) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL27318211 | 0.65 | HTT (0.50) | NPC1RAB9AGAAKMT2AMAPT | |
| SCHEMBL17658949 | 0.64 | CA1 (0.56) | — |
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-1858854-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006094639-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | disclosed |