Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | GCK | P35557 | 10/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3232564 | 0.77 | ALDH1A3 (0.44) | PTGS2GCKMMP1MMP2MMP3 | |
| SCHEMBL9034923 | 0.71 | PTGS2 (0.55) | PTGS2GCKPTGS1MMP1MMP2 | |
| SCHEMBL18002608 | 0.70 | ALDH1A3 (0.51) | PTGS1 | |
| SCHEMBL7524100 | 0.69 | ENPP2 (0.48) | PTGS2 | |
| SCHEMBL5715232 | 0.68 | PTGS2 (0.47) | PTGS2PTGS1TGFBR1 | |
| SCHEMBL21540974 | 0.67 | PTGS2 (0.51) | PTGS2GCKLOXMMP1MMP2 | |
| SCHEMBL18003239 | 0.66 | SYK (0.40) | PTGS2PTGS1 | |
| SCHEMBL12897604 | 0.66 | GCK (0.50) | GCKLOX | |
| SCHEMBL5715709 | 0.65 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL5715411 | 0.65 | PTGS2 (0.45) | PTGS2GCKPTGS1MMP1MMP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2614050-A1 | 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS | Rottapharm S.p.A. (IT) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032479-A1 | L,5-DIARYL-2-ALKVLPVRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS | ROTTAPHARM S.P.A. (IT) | 2012-03-15 | — | — | WO | disclosed |