Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 5/20 | 0.43 |
| ▸ | RPTOR | Q8N122 | 5/20 | 0.43 |
| ▸ | MLST8 | Q9BVC4 | 5/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.36 |
| ▸ | CDK2 | P24941 | 6/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL16229235 | 0.90 | CHEK1 (0.46) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL15007399 | 0.90 | CHEK1 (0.46) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL15007400 | 0.90 | CHEK1 (0.46) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL19905 | 0.87 | MTOR (0.45) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL22077 | 0.86 | MTOR (0.44) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL7882443 | 0.85 | MTOR (0.43) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL20333 | 0.85 | MTOR (0.41) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL7882475 | 0.84 | CHEK1 (0.46) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL7874518 | 0.84 | MTOR (0.42) | MTORRPTORMLST8CHEK1CCNA2 | |
| SCHEMBL7885824 | 0.83 | MTOR (0.44) | MTORRPTORMLST8CHEK1CCNA2 |
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-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |