Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.69 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | BRAF | P15056 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | RPA1 | P27694 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450574 | 0.87 | PTGS2 (0.67) | PTGS2NR3C2KDM4ERPA1MEN1 | |
| SCHEMBL9207646 | 0.85 | PTGS2 (0.65) | PTGS2NR3C2PTGS1 | |
| SCHEMBL9209095 | 0.84 | PTGS2 (0.63) | PTGS2NR3C2KDM1AMEN1KMT2A | |
| SCHEMBL9201792 | 0.84 | PTGS2 (0.63) | PTGS2NR3C2KDM1AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9208571 | 0.83 | PTGS2 (0.62) | PTGS2NR3C2KDM1AMEN1KMT2A | |
| SCHEMBL9203156 | 0.82 | PTGS2 (0.78) | PTGS2NR3C2PTGS1 | |
| SCHEMBL215235 | 0.82 | PTGS2 (1.00) | PTGS2CA1CA2CA9PTGS1 | |
| SCHEMBL9207656 | 0.82 | PTGS2 (0.64) | PTGS2NR3C2PGRKDM1AMEN1 | |
| SCHEMBL9201549 | 0.82 | PTGS2 (0.78) | PTGS2NR3C2PTGS1 | |
| SCHEMBL7459996 | 0.80 | PTGS2 (0.62) | PTGS2CA1CA2CA9PTGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1046506-C | Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO (JP) | 1999-11-17 | — | — | CN | disclosed |
| 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 |