Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7566081 | 0.82 | PTGS1 (0.46) | PTGS1PTGS2ARSLC6A7 | |
| SCHEMBL7567903 | 0.76 | PTGS2 (0.34) | PTGS1PTGS2NPC1HPGDTSHR | |
| SCHEMBL7569459 | 0.75 | HDAC1 (0.34) | SLC6A7 | |
| SCHEMBL5833325 | 0.75 | KMT2A (0.56) | PTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL72613 | 0.74 | AR (0.43) | NPC1HPGDTSHRRAB9ASMN1; SMN2 | |
| SCHEMBL7565538 | 0.71 | PTGS1 (0.33) | PTGS1PTGS2 | |
| SCHEMBL8609716 | 0.70 | HPGD (0.36) | NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL10472855 | 0.67 | HSD17B1 (0.47) | NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL7568017 | 0.66 | PTGS1 (0.47) | PTGS1PTGS2NPC1TSHRRAB9A | |
| SCHEMBL7566050 | 0.65 | ALDH2 (0.32) | — |
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-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 |