Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MARS1 | P56192 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 4/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9202425 | 0.91 | PTGS2 (0.48) | PTGS2NR3C2CYP11B1CYP11B2PTGS1 | |
| SCHEMBL9207304 | 0.87 | PTGS2 (0.44) | PTGS2NR3C2CYP11B1CYP11B2PTGS1 | |
| SCHEMBL9209095 | 0.84 | PTGS2 (0.63) | PTGS2NR3C2PTGS1MAPK14MAPK13 | |
| SCHEMBL9201792 | 0.84 | PTGS2 (0.63) | PTGS2NR3C2PTGS1MAPK14MAPK13 | |
| SCHEMBL9278196 | 0.82 | PTGS2 (0.45) | PTGS2NR3C2PTGS1MARS1MAPT | |
| SCHEMBL9203970 | 0.81 | PTGS2 (0.57) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL9206528 | 0.77 | RXRA (0.40) | PTGS2NR3C2PTGS1ALDH1A1HPGD | |
| SCHEMBL9200861 | 0.77 | SCN9A (0.45) | PTGS2PTGS1ALDH1A1HPGDMARS1 | |
| Hydrochloric Acid SCHEMBL9199123 | 0.74 | PTGS2 (0.46) | PTGS2NR3C2PTGS1ALDH1A1HPGD | |
| SCHEMBL9201489 | 0.73 | PTGS2 (0.41) | PTGS2PTGS1ALDH1A1HPGDKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0418845-B1 | Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO (JP) | 1995-08-09 | — | — | EP | disclosed |
| US-5134142-A | PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0418845-A1 | Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-03-27 | — | — | EP | disclosed |