Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.51 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3084634 | 0.98 | CES2 (0.54) | CES2CES1PTGS2NAAA | |
| SCHEMBL32074 | 0.98 | CES2 (0.54) | CES2CES1PTGS2NAAA | |
| SCHEMBL7096425 | 0.98 | CES2 (0.54) | CES2CES1PTGS2NAAA | |
| SCHEMBL5178120 | 0.95 | PTGS2 (0.57) | CES2CES1PTGS2NAAAESR1 | |
| Stearic Acid SCHEMBL8430839 | 0.94 | CES2 (0.50) | CES2CES1PTGS2ESR1 | |
| SCHEMBL29717021 | 0.89 | CES2 (0.46) | CES2CES1PTGS2NAAA | |
| SCHEMBL7527911 | 0.89 | CES2 (0.46) | CES2CES1PTGS2NAAA | |
| SCHEMBL31697573 | 0.87 | CES2 (0.44) | CES2CES1PTGS2NAAA | |
| SCHEMBL38663795 | 0.87 | TDP1 (0.50) | CES2CES1PTGS2NAAA | |
| Cinnamic Acid SCHEMBL29850611 | 0.86 | TUBB4A (0.50) | CES2CES1PTGS2ESR1 |
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-1059911-A1 | FORMULATIONS WITH AN ANTI-VIRAL EFFECT | MERCK PATENT GmbH (DE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044578-A1 | FORMULATIONS WITH AN ANTI-VIRAL EFFECT | MERCK PATENT GMBH (DE) | 1999-09-10 | — | — | WO | disclosed |