Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.54 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1681771 | 0.89 | PTGS2 (0.65) | PTGS2PTPRCBCAT2MAPK14PTGS1 | |
| Hydrogen Sulfide SCHEMBL27804205 | 0.86 | PTGS2 (0.62) | PTGS2PTPRCBCAT2MAPK14PTGS1 | |
| SCHEMBL2782853 | 0.86 | PTGS2 (0.68) | PTGS2BCAT2MAPK14PTGS1 | |
| Ammonia Solution, Strong SCHEMBL28994523 | 0.86 | PTGS2 (0.62) | PTGS2PTPRCBCAT2MAPK14PTGS1 | |
| SCHEMBL2133316 | 0.84 | PTGS2 (0.66) | PTGS2BCAT2MAPK14PTGS1 | |
| SCHEMBL7737501 | 0.84 | PTGS2 (0.66) | PTGS2BCAT2MAPK14PTGS1 | |
| SCHEMBL4312055 | 0.82 | PTGS2 (0.50) | PTGS2PTPRCBCAT2CES1PTGS1 | |
| Thiophene SCHEMBL8678681 | 0.81 | PTGS2 (0.57) | PTGS2PTPRCBCAT2MAPK14PTGS1 | |
| SCHEMBL12270289 | 0.80 | PTGS2 (0.56) | PTGS2PTPRCBCAT2CES1MAPK14 | |
| SCHEMBL12270183 | 0.80 | PTGS2 (0.56) | PTGS2PTPRCBCAT2CES1MAPK14 |
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-102746224-A | Preparation method of 2-aryl-3,4-disubstituted isoquinolyl-1(2H)-ketone derivative | UNIV TIANJIN | 2012-10-24 | — | — | CN | disclosed |