Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL27587261 | 0.82 | PTGS2 (0.47) | PTGS1MAOBMAPK14PTGS2KDM4E | |
| SCHEMBL14198825 | 0.81 | IDO1 (0.46) | MAOBIDO1LOXL2GAALMNA | |
| SCHEMBL27496458 | 0.79 | PTGS2 (0.50) | ESR1PTGS1MAOBIDO1LOXL2 | |
| SCHEMBL27472788 | 0.74 | PTGS1 (0.72) | PTGS1MAPK14PTGS2 | |
| SCHEMBL14081876 | 0.73 | PTGS1 (0.36) | PTGS1MAOBIDO1LOXL2MAPK14 | |
| SCHEMBL19953393 | 0.72 | MAPK14 (0.51) | PTGS1MAOBMAPK14PTGS2HSD17B10 | |
| SCHEMBL27453574 | 0.72 | PTGS2 (0.57) | PTGS1FYNMAPK14PTGS2ALDH1A1 | |
| SCHEMBL27465581 | 0.71 | PTGS2 (0.58) | PTGS1MAPK14PTGS2KDM4EHPGD | |
| SCHEMBL28751578 | 0.70 | PTGS2 (0.56) | PTGS1TDO2PTGS2 | |
| SCHEMBL14899831 | 0.70 | PTGS1 (0.37) | PTGS1MAOBMAPK14GCGRPTGS2 |
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-1143365-A | Phenyl-heterocycles as COX-2 inhibitors | MERCK FROSST CANADA INC (CA) | 1997-02-19 | — | — | CN | disclosed |