Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327229 | 0.84 | PTGS2 (0.53) | PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL13495075 | 0.84 | TGFBR1 (0.52) | TGFBR1PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL25975860 | 0.82 | PTGS2 (0.47) | PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL29229249 | 0.82 | PDPK1 (0.49) | PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL29140747 | 0.82 | PTGS2 (0.50) | TGFBR1PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL29229191 | 0.82 | PTGS2 (0.50) | TGFBR1PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL25344475 | 0.81 | PDPK1 (0.53) | TGFBR1PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL3107359 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL29229235 | 0.78 | ALDH1A1 (0.45) | PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL31254695 | 0.78 | ALDH1A1 (0.47) | PTGS2PTGS1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015657-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |