Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.33 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL72613 | 0.81 | AR (0.43) | ARSREBF2SLC6A7DAOCYP2A6 | |
| SCHEMBL7566081 | 0.76 | PTGS1 (0.46) | PTGS2ARSLC6A7DAOHPGDS | |
| SCHEMBL7567949 | 0.76 | PTGS1 (0.44) | PTGS2ARSLC6A7PTGS1NPC1 | |
| SCHEMBL5833325 | 0.74 | KMT2A (0.56) | PTGS2PTGS1LMNASMN1; SMN2 | |
| SCHEMBL10472855 | 0.73 | HSD17B1 (0.47) | CYP2A6CYP2B6HDAC1NPC1RAB9A | |
| SCHEMBL212244 | 0.72 | PTGS2 (0.66) | PTGS2PTGS1 | |
| SCHEMBL7212942 | 0.71 | ALDH1A1 (0.53) | PTGS2CFTRGOPCPTGS1NPC1 | |
| SCHEMBL6990226 | 0.70 | BRD4 (0.43) | NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL7569459 | 0.70 | HDAC1 (0.34) | SLC6A7DAOHPGDSHDAC1HDAC2 | |
| SCHEMBL13183603 | 0.69 | HSD17B1 (0.44) | SLC6A7NPC1RAB9ATSHRACHE |
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 4 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 |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | disclosed |