Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15537328 | 0.94 | CYP2C19 (0.39) | CYP2C19KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL3890651 | 0.90 | KDM4E (0.34) | CYP2C19KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL12140467 | 0.82 | CYP4F2 (0.46) | CYP2C19NPSR1ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL8280127 | 0.79 | CYP2C19 (0.44) | CYP2C19 | |
| SCHEMBL17540555 | 0.76 | CYP4F2 (0.44) | NPSR1KDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL19753 | 0.76 | CYP2C19 (0.54) | CYP2C19NPSR1USP2ALDH1A1LMNA | |
| SCHEMBL7362008 | 0.76 | CYP4F2 (0.35) | NPSR1CYP4F2CYP4A11 | |
| SCHEMBL15775551 | 0.75 | STAT3 (0.44) | CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL12140474 | 0.75 | CYP2C19 (0.52) | CYP2C19NPSR1USP2ALDH1A1LMNA | |
| SCHEMBL2614521 | 0.75 | KDM4E (0.34) | KDM4EUSP2ALDH1A1LMNAMMP9 |
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-1656379-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |