Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10398868 | 1.00 | PTGS1 (0.45) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL9519613 | 1.00 | PTGS1 (0.45) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL10399010 | 0.83 | CES2 (0.40) | PTGS1PTGS2CES2CES1PARP1 | |
| Bicarbonate SCHEMBL9520434 | 0.83 | CES2 (0.40) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL10399012 | 0.83 | CES2 (0.40) | PTGS1PTGS2CES2CES1PARP1 | |
| Bicarbonate SCHEMBL9519696 | 0.83 | CES2 (0.40) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL10399158 | 0.83 | CES2 (0.40) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL9521150 | 0.82 | GAA (0.52) | PTGS1PTGS2GAAHDAC1HTR7 | |
| SCHEMBL10398788 | 0.82 | GAA (0.52) | PTGS1PTGS2GAAHDAC1HTR7 | |
| SCHEMBL9521145 | 0.82 | GAA (0.52) | PTGS1PTGS2GAAHDAC1HTR7 |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |