Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 5/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4657971 | 0.89 | ADORA3 (0.38) | ADORA3RAD51CTSSCTSKTOP1 | |
| SCHEMBL4659163 | 0.84 | RAD51 (0.40) | ADORA3RAD51CTSSCTSKTOP1 | |
| SCHEMBL4658083 | 0.83 | KDM4E (0.45) | ADORA3TOP1AHRATMKDM4E | |
| SCHEMBL3562601 | 0.72 | ADORA3 (0.44) | ADORA3RAD51TRPV3CTSSCTSK | |
| SCHEMBL4659010 | 0.72 | KDM4E (0.53) | ATMKDM4EPOLBRAB9ALMNA | |
| SCHEMBL4657839 | 0.71 | IDO1 (0.46) | CTSSCTSKKDM4ENPC1POLB | |
| SCHEMBL4659116 | 0.70 | GRM2 (0.36) | CTSSCTSKPDE2A | |
| SCHEMBL23113562 | 0.70 | KIF11 (0.44) | ADORA3RAD51TRPV3CTSSCTSK | |
| SCHEMBL3564515 | 0.70 | TLR2 (0.36) | ADORA3RAD51TRPV3CTSSCTSK | |
| SCHEMBL4659069 | 0.69 | RAD51 (0.43) | ADORA3RAD51CTSSCTSKTOP1 |
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 |