Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.42 |
| ▸ | TTK | P33981 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14015015 | 0.78 | HTT (0.46) | ADORA2AADORA1ALDH1A1MAPTGFER | |
| SCHEMBL14015009 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPTGFERHPGDKDM4E | |
| SCHEMBL12035265 | 0.75 | GSK3A (0.52) | ALDH1A1MAPTGFERHPGDKDM4E | |
| SCHEMBL1513071 | 0.73 | KDM4E (0.53) | ADORA2AADORA1ALDH1A1MAPTGFER | |
| SCHEMBL1513037 | 0.70 | ABCC8 (0.46) | ALDH1A1MAPTGFERHPGDKDM4E | |
| SCHEMBL13923950 | 0.70 | KDR (0.59) | ALDH1A1HPGDKDM4EMAPK10TTK | |
| SCHEMBL14015019 | 0.70 | TTK (0.48) | ALDH1A1HPGDKDM4EMAPK10TTK | |
| SCHEMBL12290752 | 0.68 | MAP2K4 (0.53) | ADORA2AADORA1ALDH1A1MAPTGFER | |
| SCHEMBL14015020 | 0.67 | KDM4E (0.45) | ADORA2AALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL1513033 | 0.67 | ADORA1 (0.54) | ADORA2AADORA1ALDH1A1MAPTGFER |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452880-B2 | Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-18 | — | — | US | disclosed |