Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 14/20 | 0.43 |
| ▸ | MAP2K2 | P36507 | 8/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL625996 | 0.80 | SMN1; SMN2 (0.48) | MAP2K1MAP2K2ALDH1A1HTT | |
| SCHEMBL2650449 | 0.79 | HDAC1 (0.58) | MAP2K1MAP2K2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL7469020 | 0.75 | ALDH1A1 (0.46) | MAP2K1MAP2K2ALDH1A1CYP2C19 | |
| SCHEMBL14257414 | 0.74 | NPC1 (0.41) | MAP2K1MAP2K2ALDH1A1 | |
| SCHEMBL12810857 | 0.74 | NPC1 (0.41) | MAP2K1MAP2K2ALDH1A1CYP2C19 | |
| SCHEMBL31485290 | 0.74 | MAP2K1 (0.53) | MAP2K1MAP2K2ALDH1A1CYP2C19HTT | |
| SCHEMBL12556990 | 0.74 | MAP2K1 (0.46) | MAP2K1MAP2K2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL22312378 | 0.73 | MAP2K1 (0.42) | MAP2K1MAP2K2HDAC1HDAC6HTT | |
| SCHEMBL15058173 | 0.73 | HPGD (0.51) | MAP2K1MAP2K2CYP2C19HTTPIM1 | |
| SCHEMBL1419646 | 0.73 | KIF11 (0.57) | MAP2K1MAP2K2CA1CA2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1894932-A1 | 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer | Japan Tobacco, Inc. (JP) | 2008-03-05 | — | — | EP | disclosed |