Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL30926 | 0.83 | LMNA (0.34) | — | |
| SCHEMBL2502821 | 0.80 | CYP2C19 (0.33) | CYP2C19TSHRNFKB1 | |
| Acetic Acid SCHEMBL20746004 | 0.78 | — | — | |
| SCHEMBL25543857 | 0.75 | TSHR (0.35) | CYP2C19TSHRNFKB1CYP1A2CYP2C9 | |
| SCHEMBL19233 | 0.74 | CYP2C19 (0.38) | CYP2C19TSHRCYP1A2 | |
| SCHEMBL22769083 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8362281 | 0.73 | CYP2C19 (0.37) | CYP2C19TSHRCYP1A2 | |
| SCHEMBL8527908 | 0.73 | CYP2C19 (0.37) | CYP2C19TSHRCYP1A2 | |
| SCHEMBL2300431 | 0.72 | FFAR3 (0.38) | CYP2C19TSHRNFKB1 | |
| SCHEMBL15135616 | 0.70 | — | — |
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 2 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 | disclosed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |