Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.81 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.71 |
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294495 | 0.95 | PTGS2 (1.00) | PTGS2PTGS1EPHX2CA1CA2 | |
| SCHEMBL28292909 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL28294629 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL28294493 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL28294489 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL14747592 | 0.76 | PTGS2 (0.69) | PTGS2PTGS1EPHX2CA1CA2 | |
| SCHEMBL3324927 | 0.76 | TSHR (0.70) | PTGS2CA1CA2CA9 | |
| SCHEMBL6352653 | 0.75 | CHRNA7 (0.71) | PTGS2PTGS1EPHX2 | |
| SCHEMBL17369596 | 0.75 | HDAC3 (0.79) | PTGS2PTGS1EPHX2CA1CA2 | |
| SCHEMBL5236666 | 0.75 | RPA1 (0.72) | PTGS2PTGS1EPHX2CA1CA2 |
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 |