Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 7/20 | 0.38 |
| ▸ | CTSK | P43235 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7257280 | 0.85 | NAMPT (0.46) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL7260124 | 0.83 | NAMPT (0.44) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL31407652 | 0.82 | KLK5 (0.48) | NAMPTHDAC1GRIN2BCTSSCTSK | |
| SCHEMBL5076532 | 0.80 | NAMPT (0.47) | NAMPTHDAC1GRIN2BCTSSCTSK | |
| SCHEMBL1429937 | 0.79 | HDAC1 (0.47) | NAMPTHDAC1GRIN2BCYP17A1MAPK1 | |
| SCHEMBL3211479 | 0.79 | HDAC1 (0.47) | NAMPTHDAC1GRIN2BCYP17A1MAPK1 | |
| SCHEMBL6058751 | 0.78 | NAMPT (0.44) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL2214542 | 0.77 | ITGB3 (0.47) | NAMPTHDAC1GRIN2BCTSSCTSK | |
| SCHEMBL7259895 | 0.77 | HDAC1 (0.41) | NAMPTHDAC1GRIN2BCTSSCTSK | |
| SCHEMBL13456709 | 0.77 | NAMPT (0.53) | NAMPTHDAC1GRIN2BCYP17A1GSK3B |
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-2003013526-A1 | ANTICOAGULANT COMPOUNDS | MERCK & CO. INC. (US) | 2003-02-20 | — | — | WO | disclosed |