Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.34 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7566081 | 0.78 | PTGS1 (0.46) | HDAC1HDAC2HDAC3SLC6A7DAO | |
| SCHEMBL7567949 | 0.75 | PTGS1 (0.44) | SLC6A7 | |
| SCHEMBL8609716 | 0.72 | HPGD (0.36) | KDM4ELMNAMAPT | |
| SCHEMBL5833325 | 0.71 | KMT2A (0.56) | LMNA | |
| SCHEMBL7567903 | 0.70 | PTGS2 (0.34) | HDAC1HDAC2HDAC3SLC6A7DAO | |
| SCHEMBL72613 | 0.68 | AR (0.43) | SLC6A7DAOLMNA | |
| SCHEMBL51899 | 0.63 | SLC6A7 (0.50) | SLC6A7LMNAMAPTL3MBTL1 | |
| SCHEMBL7568017 | 0.63 | PTGS1 (0.47) | HDAC1HDAC2HDAC3DAOHPGDS | |
| SCHEMBL6326345 | 0.62 | PTGS1 (0.34) | DAOHPGDSKDM4EMAPT | |
| SCHEMBL7566050 | 0.62 | ALDH2 (0.32) | DAOHPGDSMAPT |
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-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| EP-0889878-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | disclosed |