Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | ATP4A | P20648 | 2/20 | 0.32 |
| ▸ | ATP4B | P51164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657757 | 0.90 | PTGS2 (0.41) | CTSSCTSKTLR8RAD51KDM4E | |
| SCHEMBL4658975 | 0.86 | CTRC (0.38) | TLR8ADORA3NPC1RAB9A | |
| SCHEMBL4658988 | 0.86 | CTSS (0.39) | CTSSCTSKTLR8RAD51KDM4E | |
| SCHEMBL4659002 | 0.83 | KMO (0.34) | MAPT | |
| SCHEMBL4659017 | 0.82 | ABL1 (0.31) | — | |
| SCHEMBL4659004 | 0.81 | KDM4E (0.43) | KDM4EALDH1A1ADORA2APTGS2PTGS1 | |
| SCHEMBL4658258 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1ADORA3ADORA2APTGS2 | |
| SCHEMBL4657837 | 0.80 | PTGS2 (0.37) | CTSSCTSKALDH1A1PTGS2PTGS1 | |
| SCHEMBL4659355 | 0.79 | TLR8 (0.34) | CTSSCTSKTLR8RAD51KDM4E | |
| SCHEMBL4657815 | 0.79 | PTGS2 (0.39) | PTGS2PTGS1 |
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-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |