Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL197638 | 0.73 | — | — | |
| SCHEMBL5952220 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL12502235 | 0.70 | CHRNB2 (0.33) | HCAR2CHRNB2CHRNA4 | |
| SCHEMBL28044800 | 0.70 | — | — | |
| SCHEMBL30129770 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6069542 | 0.70 | — | — | |
| Water SCHEMBL28044737 | 0.70 | — | — | |
| Water SCHEMBL28044696 | 0.68 | HCAR2 (0.48) | HCAR2CHRNB2CHRNA4HDAC8CHRNB4 | |
| SCHEMBL31171067 | 0.67 | — | — | |
| SCHEMBL112244 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5922742-A | NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS | MERCK FROSST CANADA (CA) | 1999-07-13 | — | — | US | disclosed |
| EP-0900201-A1 | PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040012-A1 | PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-30 | — | — | WO | disclosed |