Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | HPGDS | O60760 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
| ▸ | SLC6A7 | Q99884 | 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 | |
|---|---|---|---|---|
| SCHEMBL7568017 | 0.88 | PTGS1 (0.47) | PTGS1PTGS2BACE1DAOHPGDS | |
| SCHEMBL7565479 | 0.76 | PTGS2 (0.35) | PTGS1PTGS2 | |
| SCHEMBL6326345 | 0.75 | PTGS1 (0.34) | PTGS1PTGS2BACE1DAOHPGDS | |
| SCHEMBL72613 | 0.73 | AR (0.43) | DAOSMN1; SMN2SLC6A7 | |
| SCHEMBL7566081 | 0.69 | PTGS1 (0.46) | PTGS1PTGS2BACE1DAOHPGDS | |
| SCHEMBL5833325 | 0.68 | KMT2A (0.56) | PTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL7565538 | 0.67 | PTGS1 (0.33) | PTGS1PTGS2 | |
| SCHEMBL7566050 | 0.67 | ALDH2 (0.32) | BACE1DAOHPGDSCHEK1 | |
| SCHEMBL10472855 | 0.66 | HSD17B1 (0.47) | SMN1; SMN2HDAC1 | |
| SCHEMBL7259290 | 0.65 | PTGS2 (0.53) | PTGS1PTGS2 |
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 | claimed |
| EP-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |