Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | GLI1 | P08151 | 1/20 | 0.35 |
| ▸ | GLI2 | P10070 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11258070 | 0.92 | PTGS2 (0.45) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11256327 | 0.86 | PTGS2 (0.46) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11154142 | 0.85 | PTGS2 (0.43) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11408289 | 0.84 | PTGS2 (0.51) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11259648 | 0.83 | PTGS1 (0.45) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11260940 | 0.82 | PTGS2 (0.49) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11162495 | 0.82 | PTGS2 (0.47) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11152991 | 0.81 | PTGS2 (0.46) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11255131 | 0.80 | PTGS2 (0.44) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL11269682 | 0.80 | PTGS2 (0.44) | PTGS2PTGS1CA12CA1CA2 |
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-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |