Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | XDH | P47989 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL749046 | 0.82 | PTGS1 (0.41) | PTGS2MEN1KMT2ALMNAGAA | |
| SCHEMBL7009837 | 0.79 | PTGS2 (0.75) | PTGS2XDHHPGDMT-CO2MKNK1 | |
| SCHEMBL7009835 | 0.79 | PTGS2 (0.75) | PTGS2XDHHPGDMT-CO2MKNK1 | |
| SCHEMBL4901239 | 0.77 | CYP2A6 (0.47) | PTGS2MEN1KMT2ALMNAGAA | |
| SCHEMBL5148090 | 0.77 | CYP1A2 (0.51) | PTGS2KMT2AHPGDALDH1A1MT-CO2 | |
| SCHEMBL22554086 | 0.77 | CYP11B1 (0.51) | XDHMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3729385 | 0.75 | PTGS2 (0.58) | PTGS2KMT2AHPGDMT-CO2PTGS1 | |
| SCHEMBL3672641 | 0.75 | CTSK (0.41) | XDHMEN1KMT2ALMNAGAA | |
| SCHEMBL4162120 | 0.75 | CTSK (0.41) | XDHMEN1KMT2ALMNAGAA | |
| SCHEMBL4154310 | 0.75 | CTSK (0.41) | XDHMEN1KMT2ALMNAGAA |
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 |