Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4792886 | 0.87 | SCN9A (0.54) | SCN9AKDM4ENPSR1CCR1NR3C1 | |
| SCHEMBL4792972 | 0.86 | SCN9A (0.42) | SCN9ACYP1A2CCR1NOTUMCYP2C9 | |
| SCHEMBL4794087 | 0.86 | SCN9A (0.42) | SCN9ACYP1A2NR3C1NOTUMCYP2C9 | |
| SCHEMBL4794897 | 0.84 | SCN9A (0.48) | SCN9ANR3C1 | |
| SCHEMBL4791493 | 0.83 | SCN9A (0.47) | SCN9ACYP1A2CNR1CNR2 | |
| SCHEMBL4792507 | 0.82 | MAPT (0.47) | SCN9AKDM4ENPSR1CYP1A2CCR1 | |
| SCHEMBL6993388 | 0.79 | SCN9A (0.44) | SCN9AKDM4ENPSR1CYP1A2CCR1 | |
| SCHEMBL4795769 | 0.78 | EGLN2 (0.41) | SCN9ACYP1A2CCR1NOTUMCYP2C9 | |
| SCHEMBL4790806 | 0.77 | SCN9A (0.72) | SCN9AKDM4ENPSR1CCR1NR3C1 | |
| SCHEMBL25678095 | 0.76 | SCN9A (0.46) | SCN9ACYP2C9SRCCNR1CNR2 |
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-1937647-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | Inpharmatica Limited (GB) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007036727-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | INPHARMATICA LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |
| WO-2007036727-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | INPHARMATICA LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |