Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | PSD | A5PKW4 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659182 | 0.82 | ALOX5 (0.44) | ALOX5MAPTPSDTP53KDM4E | |
| SCHEMBL4657924 | 0.82 | ALOX5 (0.43) | ALOX5MAPTKDM5BNPC1RAB9A | |
| SCHEMBL4658125 | 0.82 | MAPK1 (0.41) | ALOX5MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9705307 | 0.79 | NPC1 (0.51) | MAPTNPC1RAB9ASMN1; SMN2CXCL12 | |
| SCHEMBL4657739 | 0.73 | KDM4E (0.53) | ALOX5MAPTRAB9APSDSMN1; SMN2 | |
| SCHEMBL3563211 | 0.72 | GAA (0.47) | MAPTKDM5BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4659271 | 0.71 | RAD51 (0.40) | MAPTNPC1RAB9AMAPK1TP53 | |
| SCHEMBL4658006 | 0.71 | AHR (0.37) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4658269 | 0.69 | KMO (0.40) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4657860 | 0.69 | ABL1 (0.36) | ALOX5MAPK1 |
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 |