Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2575153 | 1.00 | KDM4E (0.41) | KDM4EENPP2FDPSALDH1A1CYP19A1 | |
| SCHEMBL4933440 | 0.74 | CYP11B2 (0.59) | KDM4EENPP2ALDH1A1CYP19A1MAPT | |
| SCHEMBL1898942 | 0.74 | CYP11B2 (0.59) | KDM4EENPP2ALDH1A1CYP19A1MAPT | |
| SCHEMBL16888228 | 0.73 | KDM4E (0.35) | KDM4EENPP2FDPSMAPT | |
| SCHEMBL14962250 | 0.73 | RAF1 (0.41) | KDM4EENPP2FDPSALDH1A1MAPT | |
| SCHEMBL4092089 | 0.73 | KDM4E (0.35) | KDM4EENPP2FDPSMAPT | |
| SCHEMBL4092087 | 0.73 | KDM4E (0.35) | KDM4EENPP2FDPSMAPT | |
| SCHEMBL29540651 | 0.73 | KDM4E (0.35) | KDM4EENPP2FDPSMAPT | |
| SCHEMBL2963146 | 0.71 | KDM4E (0.50) | KDM4EENPP2FDPSALDH1A1CYP19A1 | |
| SCHEMBL2963149 | 0.71 | KDM4E (0.50) | KDM4EENPP2FDPSALDH1A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8049010-B2 | Using 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-formaldehyde as raw material; cyanation to 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-acrylonitrile; carbonylation, chain extension, hydrolysis, neutralization, decomposition, catalysis | Anhui Qingyun Pharmaceuticals & Chemical Co., Ltd. (CN) | 2011-11-01 | — | — | US | disclosed |