Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 9/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.43 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28581305 | 0.83 | PSIP1 (0.60) | PTGES2CA1CA2PSIP1KIF11 | |
| SCHEMBL2642570 | 0.80 | KEAP1 (0.53) | PTGES2PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL2418703 | 0.77 | KDM4E (0.44) | PTGES2CA1CA2PSIP1KIF11 | |
| SCHEMBL6760868 | 0.76 | RECQL (0.57) | PTGES2 | |
| Sulfuric Acid SCHEMBL20984554 | 0.74 | PTGES2 (0.45) | PTGES2CA1CA2PIK3CDPIK3CA | |
| SCHEMBL29544314 | 0.72 | PTGES2 (0.41) | PTGES2CA1CA2PIK3CDPIK3CA | |
| SCHEMBL3231386 | 0.72 | PTGES2 (0.41) | PTGES2CA1CA2PIK3CDPIK3CA | |
| SCHEMBL3769877 | 0.71 | PTGES2 (1.00) | PTGES2CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL3651004 | 0.70 | ALDH1A1 (0.43) | PTGES2CA1CA2PIK3CDPIK3CA | |
| Bromide SCHEMBL20984837 | 0.70 | PTGES2 (0.40) | PTGES2CA1CA2PIK3CDPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103339132-B | Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredi | 株式会社麦迪帕克特 | 2017-02-15 | — | — | CN | disclosed |