Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.68 |
| ▸ | HTR2C | P28335 | 3/20 | 0.68 |
| ▸ | HTR2B | P41595 | 3/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21157448 | 1.00 | HTR2A (0.68) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL8132350 | 0.88 | PTGS2 (0.59) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL28691202 | 0.85 | PTGS2 (0.59) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL1475300 | 0.81 | HTR2A (1.00) | HTR2AHTR2CHTR2BALDH1A1MAPK10 | |
| SCHEMBL28705568 | 0.80 | PDE4A (0.49) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL1476138 | 0.80 | HTR2A (0.63) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL22245041 | 0.79 | HTR2A (0.48) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL21863402 | 0.79 | POLB (0.46) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL28699510 | 0.79 | PDE4A (0.50) | HTR2AHTR2CHTR2BPTGS2PTGS1 | |
| SCHEMBL29374174 | 0.79 | PDE4A (0.61) | HTR2AHTR2CHTR2BPTGS2PTGS1 |
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-109020890-B | Preparation and application of saturated aliphatic cyclo-pyrazole derivatives | 南京大学 | 2022-02-08 | — | — | CN | disclosed |