Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659002 | 0.90 | KMO (0.34) | — | |
| SCHEMBL4659017 | 0.89 | ABL1 (0.31) | — | |
| SCHEMBL4660466 | 0.86 | CTSS (0.37) | NPC1RAB9AADORA3TLR8 | |
| SCHEMBL4658258 | 0.85 | KDM4E (0.44) | CTRCRAB9AADORA3MAPK1MEN1 | |
| SCHEMBL4659140 | 0.76 | PTGS2 (0.37) | — | |
| SCHEMBL4657757 | 0.75 | PTGS2 (0.41) | ADORA3MAPK1TLR8MEN1KMT2A | |
| SCHEMBL4657815 | 0.75 | PTGS2 (0.39) | — | |
| SCHEMBL4659004 | 0.75 | KDM4E (0.43) | RAB9AMAPK1KMT2A | |
| SCHEMBL4657763 | 0.74 | MAPK1 (0.41) | CTRCNPC1RAB9AADORA3MAPK1 | |
| SCHEMBL4657924 | 0.74 | ALOX5 (0.43) | CTRCNPC1RAB9AADORA3MAPK1 |
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 |