Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP4 | P49662 | 2/20 | 0.34 |
| ▸ | CASP5 | P51878 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2830936 | 0.92 | ALDH1A1 (0.40) | KDM4EALDH1A1GAAMAPK1KMT2A | |
| SCHEMBL2835037 | 0.83 | CHRM4 (0.36) | KDM4EALDH1A1KMT2ADRD2DRD3 | |
| SCHEMBL2360732 | 0.78 | BDKRB1 (0.40) | HCRTR1HCRTR2 | |
| SCHEMBL2836061 | 0.77 | ALDH1A1 (0.35) | KDM4EALDH1A1GAADRD2DRD3 | |
| SCHEMBL2364339 | 0.77 | CYP2D6 (0.42) | ALDH1A1MAPK1KMT2AHCRTR1HCRTR2 | |
| SCHEMBL2836034 | 0.76 | LMNA (0.44) | ALDH1A1 | |
| SCHEMBL2836075 | 0.76 | NAAA (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL2835615 | 0.75 | ALDH1A1 (0.40) | KDM4EALDH1A1GAAMAPK1KMT2A | |
| SCHEMBL2835907 | 0.74 | ALDH1A1 (0.38) | KDM4EALDH1A1GAAMAPK1KMT2A | |
| SCHEMBL2840074 | 0.73 | LMNA (0.35) | ALDH1A1MAPK1CHRM4HCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | claimed |