Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11156896 | 0.99 | PTGS2 (0.43) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11155210 | 0.88 | PTGS2 (0.44) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11263518 | 0.88 | PTGS2 (0.44) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11258342 | 0.87 | PTGS2 (0.45) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11175678 | 0.86 | KDM4E (0.36) | PTGS2PTGS1HRH3KDM4EALDH1A1 | |
| SCHEMBL11166673 | 0.85 | KDM4E (0.36) | PTGS2PTGS1HRH3KDM4EALDH1A1 | |
| SCHEMBL11261401 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11256561 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11271305 | 0.84 | PTGS2 (0.48) | PTGS2PTGS1HRH3CA12CA1 | |
| SCHEMBL11258108 | 0.81 | PTGS2 (0.44) | PTGS2PTGS1HRH3CA12CA1 |
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-0024282-B1 | BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1983-05-18 | — | — | EP | disclosed |