Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.76 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | CCKAR | P32238 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28292908 | 0.90 | PTGS2 (1.00) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL28872794 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL28294514 | 0.87 | PTGS2 (1.00) | PTGS2PTGS1EPHX2 | |
| SCHEMBL28294510 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL28292889 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL28294504 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1CA9 | |
| SCHEMBL28294627 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1EPHX2 | |
| SCHEMBL28872998 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL28292910 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL28294503 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109748872-A | The design and synthesis of the morpholine derivative antitumoral compounds of one kind skeleton containing diaryl pyrazole | 南京大学 | 2019-05-14 | — | — | CN | disclosed |