Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5215941 | 0.83 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5215342 | 0.83 | GRM4 (0.57) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5220712 | 0.83 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5217660 | 0.83 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5216583 | 0.80 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5215183 | 0.80 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5216495 | 0.80 | GRM4 (0.54) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5222668 | 0.78 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5216919 | 0.78 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2BCHEMAPT | |
| SCHEMBL5221946 | 0.78 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2BCHEMAPT |
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-1458383-B1 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2003051833-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | disclosed |