Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.75 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | XDH | P47989 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7009835 | 1.00 | PTGS2 (0.75) | PTGS2HDAC1XDHCYP11B1CYP11B2 | |
| SCHEMBL7011375 | 0.86 | PTGS2 (1.00) | PTGS2HDAC1XDH | |
| SCHEMBL7011372 | 0.86 | PTGS2 (1.00) | PTGS2HDAC1XDH | |
| SCHEMBL7014392 | 0.79 | PTGS2 (0.47) | PTGS2XDHHPGDMT-CO2MKNK1 | |
| SCHEMBL3729385 | 0.71 | PTGS2 (0.58) | PTGS2HPGDMT-CO2PTGS1 | |
| SCHEMBL4827831 | 0.70 | PTGS2 (0.67) | PTGS2HPGDPTGS1 | |
| SCHEMBL1125147 | 0.67 | TYR (0.53) | PTGS2HPGDMT-CO2PTGS1 | |
| SCHEMBL7006507 | 0.67 | PTGS2 (0.72) | PTGS2PTGS1 | |
| SCHEMBL7006513 | 0.67 | PTGS2 (0.72) | PTGS2PTGS1 | |
| SCHEMBL11262091 | 0.66 | CYP19A1 (0.57) | PTGS2HPGDMT-CO2PTGS1MAOB |
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-1054857-B1 | BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-11-05 | — | — | EP | disclosed |
| US-5994379-A | Bisaryl COX-2 inhibiting compounds, compositions and methods of use | MERCK FROSST CANADA, INC. (CA) | 1999-11-30 | — | — | US | disclosed |