Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL6609254 | 0.84 | EPHX2 (0.47) | EPHX2NR1H4ENPP2PTGS2AKR1C3 | |
| SCHEMBL8521854 | 0.82 | EPHX2 (0.43) | EPHX2NR1H4ENPP2PTGS2AKR1C3 | |
| SCHEMBL8133933 | 0.82 | ENPP2 (0.48) | EPHX2NR1H4ENPP2PTGS2AKR1C3 | |
| SCHEMBL6605493 | 0.80 | HTR2A (0.38) | — | |
| SCHEMBL2600037 | 0.77 | ESR1 (0.50) | EPHX2NR1H4ENPP2PTGS2PTPN1 | |
| SCHEMBL8077236 | 0.77 | ENPP2 (0.44) | EPHX2NR1H4ENPP2PTGS2PTGDR2 | |
| SCHEMBL6178999 | 0.77 | EPHX2 (0.47) | EPHX2NR1H4ENPP2PTGS2PTGDR2 | |
| SCHEMBL8081741 | 0.77 | ENPP2 (0.44) | EPHX2NR1H4ENPP2PTGS2PTGDR2 | |
| SCHEMBL8563783 | 0.76 | EPHX2 (0.46) | EPHX2NR1H4ENPP2PTGS2AKR1C3 | |
| SCHEMBL27769567 | 0.76 | EPHX2 (0.46) | EPHX2NR1H4ENPP2PTGS2PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1404330-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003002118-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-01-09 | — | — | WO | disclosed |
| EP-1028951-A1 | DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999023087-A1 | DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1999-05-14 | — | — | WO | disclosed |