Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22898114 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TP53CYP2C19MAPK1 | |
| SCHEMBL16908082 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TP53CYP2C19MAPK1 | |
| SCHEMBL1654619 | 0.81 | CYP3A4 (0.48) | ALDH1A1CYP3A4TP53CYP2C19MAPK1 | |
| SCHEMBL13308632 | 0.81 | CYP3A4 (0.48) | ALDH1A1CYP3A4TP53CYP2C19MAPK1 | |
| SCHEMBL13411367 | 0.79 | OPRK1 (0.34) | ALDH1A1CYP3A4TP53CYP2C19MAPK1 | |
| SCHEMBL8577511 | 0.78 | OPRK1 (0.36) | ALDH1A1CYP3A4TP53SMN1; SMN2OPRK1 | |
| SCHEMBL336940 | 0.78 | CYP3A4 (0.43) | ALDH1A1CYP3A4TP53CYP2C19MAPK1 | |
| SCHEMBL12076531 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL11043271 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL583582 | 0.76 | LMNA (0.39) | ALDH1A1CYP3A4TP53CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010118207-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | SCHERING CORPORATION (US) | 2010-10-14 | — | — | WO | disclosed |