Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4134330 | 0.79 | PRKCI (0.52) | NPC1PKMRAB9ANOTUMNAMPT | |
| SCHEMBL10644254 | 0.75 | DHODH (0.77) | NPC1PKMRAB9ADHODHALDH1A1 | |
| SCHEMBL27704537 | 0.72 | GRM5 (0.54) | NAPRTNPC1PKMRAB9ANAMPT | |
| SCHEMBL1761088 | 0.71 | ALDH1A1 (0.50) | NPC1PKMRAB9ANOTUMNAMPT | |
| SCHEMBL2714517 | 0.71 | MAPT (0.65) | NPC1RAB9ADHODHALDH1A1KDM4E | |
| SCHEMBL29421237 | 0.71 | MAPT (0.65) | NPC1RAB9ADHODHALDH1A1KDM4E | |
| SCHEMBL28774260 | 0.70 | KMT2A (0.50) | NPC1PKMRAB9ANOTUMALDH1A1 | |
| SCHEMBL31629762 | 0.70 | DHODH (0.55) | NPC1PKMRAB9ANOTUMNAMPT | |
| SCHEMBL10642215 | 0.69 | KDM4E (0.56) | NPC1PKMRAB9ADHODHALDH1A1 | |
| SCHEMBL2450853 | 0.68 | NPC1 (0.56) | NAPRTNPC1PKMRAB9ANOTUM |
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 |
|---|---|---|---|---|---|---|---|
| CN-101208311-B | Pyrazine -2-carboxamide derivatives as mglur5 antagonists | HOFFMANN LA ROCHE | 2013-06-12 | — | — | CN | disclosed |
| CN-101208311-A | Pyrazine -2-carboxamide derivatives as mglur5 antagonists | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | CN | disclosed |