Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 5/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ASGR1 | P07306 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27942405 | 0.83 | OPRM1 (0.31) | MME | |
| SCHEMBL19753 | 0.83 | CYP2C19 (0.54) | CYP2C19MMECYP4F2CYP4A11TBXAS1 | |
| SCHEMBL1812027 | 0.81 | CYP2C19 (0.50) | CYP2C19MMECYP4F2CYP4A11TBXAS1 | |
| SCHEMBL2184899 | 0.80 | MAPK1 (0.40) | MMECYP4F2CYP4A11 | |
| SCHEMBL28278251 | 0.79 | CYP2C19 (0.50) | CYP2C19MMECYP4F2CYP4A11TBXAS1 | |
| SCHEMBL17592304 | 0.79 | CYP2C19 (0.50) | CYP2C19MMECYP4F2CYP4A11TBXAS1 | |
| SCHEMBL19216525 | 0.78 | CYP2C19 (0.39) | CYP2C19CYP4F2CYP4A11KDM1A | |
| SCHEMBL3877084 | 0.77 | CYP2C19 (0.47) | CYP2C19MMECYP4F2CYP4A11TBXAS1 | |
| SCHEMBL15573832 | 0.77 | CYP2C19 (0.47) | CYP2C19MMECYP4F2CYP4A11DPP4 | |
| SCHEMBL19216702 | 0.77 | CYP2C19 (0.45) | CYP2C19MMECYP4F2CYP4A11KDM1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2608669-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | claimed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | claimed |
| EP-2608669-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |