Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.71 |
| ▸ | POLB | P06746 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.66 |
| ▸ | MEN1 | O00255 | 6/20 | 0.66 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.64 |
| ▸ | RELA | Q04206 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.53 |
| ▸ | CDC25B | P30305 | 2/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.53 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30511902 | 1.00 | PTGS2 (0.71) | PTGS2POLBKMT2AMEN1NLRP3 | |
| SCHEMBL26121053 | 0.89 | PTGS2 (0.56) | PTGS2POLBKMT2AMEN1NLRP3 | |
| SCHEMBL11251722 | 0.86 | PTGS2 (0.71) | PTGS2POLBKMT2AMEN1NLRP3 | |
| SCHEMBL28358360 | 0.84 | PTGS2 (0.94) | PTGS2POLBKMT2AMEN1NLRP3 | |
| SCHEMBL3447906 | 0.84 | PTGS2 (1.00) | PTGS2POLBKMT2AMEN1NLRP3 | |
| SCHEMBL28358398 | 0.83 | MEN1 (0.74) | PTGS2POLBKMT2AMEN1ALDH1A1 | |
| SCHEMBL28361850 | 0.83 | MEN1 (0.74) | PTGS2POLBKMT2AMEN1ALDH1A1 | |
| SCHEMBL28358299 | 0.83 | MEN1 (0.74) | PTGS2POLBKMT2AMEN1ALDH1A1 | |
| SCHEMBL28358072 | 0.83 | PTPN2 (0.53) | PTGS2POLBKMT2AMEN1NLRP3 | |
| SCHEMBL5820153 | 0.82 | POLB (0.73) | PTGS2POLBKMT2AMEN1NLRP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110746355-B | Phenylpyrazole compound, pharmaceutical composition, and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2023-08-11 | — | — | CN | disclosed |
| CN-110746355-A | Phenylpyrazole compound, pharmaceutical composition, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2020-02-04 | — | — | CN | disclosed |
| US-4325962-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS | BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-04-20 | — | — | US | disclosed |