Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7567400 | 0.83 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7567391 | 0.83 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7573672 | 0.83 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7565544 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7565220 | 0.76 | PTGS2 (0.55) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7568253 | 0.76 | PTGS2 (0.62) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7568261 | 0.76 | PTGS2 (0.62) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7566421 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7568515 | 0.75 | PTGS2 (0.65) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7568511 | 0.75 | PTGS2 (0.65) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
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 1 patent. 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 |