Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.77 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.71 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.71 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698710 | 0.87 | PTGS2 (0.76) | CHRNA7PTGS2PTGS1 | |
| SCHEMBL27485652 | 0.86 | PTGS2 (0.65) | CHRNA7PTGS2PTGS1 | |
| SCHEMBL5236666 | 0.86 | RPA1 (0.72) | PTGS2PTGS1EPHX2 | |
| SCHEMBL5430032 | 0.85 | CA9 (0.74) | CHRNA7PTGS2CYP2C9PTGS1PDPK1 | |
| SCHEMBL27485627 | 0.85 | PTGS2 (0.69) | CHRNA7PTGS2PTGS1 | |
| SCHEMBL3873219 | 0.85 | CHRNA7 (0.80) | CHRNA7PTGS2 | |
| SCHEMBL3096416 | 0.84 | PTGS2 (1.00) | PTGS2CYP2C9PTGS1PDPK1 | |
| SCHEMBL8121963 | 0.83 | PTGS2 (0.80) | CHRNA7PTGS2CYP2C9PTGS1PDPK1 | |
| SCHEMBL5858004 | 0.83 | PDPK1 (1.00) | PTGS2CYP2C9PTGS1PDPK1 | |
| SCHEMBL16876818 | 0.83 | MEN1 (0.60) | CHRNA7PTGS2CYP2C9PTGS1EPHX2 |
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 |