Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 9/20 | 0.70 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.70 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.70 |
| ▸ | TYMS | P04818 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19219352 | 0.84 | RXRA (0.81) | RXRAGRIN1GRIN2BTYMSFLT3 | |
| SCHEMBL18031672 | 0.83 | CA1 (0.56) | RXRAGRIN1GRIN2BCA9CA2 | |
| SCHEMBL19219360 | 0.82 | RXRA (1.00) | RXRAGRIN1GRIN2B | |
| SCHEMBL19219354 | 0.82 | RXRA (1.00) | RXRAGRIN1GRIN2B | |
| SCHEMBL28309771 | 0.80 | CA9 (0.71) | RXRAGRIN1GRIN2BCA9CA2 | |
| SCHEMBL19219353 | 0.80 | RXRA (1.00) | RXRAGRIN1GRIN2B | |
| SCHEMBL19219355 | 0.80 | RXRA (1.00) | RXRAGRIN1GRIN2B | |
| SCHEMBL19219356 | 0.79 | RXRA (1.00) | RXRAGRIN1GRIN2B | |
| SCHEMBL28704072 | 0.78 | DHODH (0.56) | RXRAGRIN1GRIN2BCA9CA2 | |
| SCHEMBL19211404 | 0.77 | NOTUM (0.67) | RXRAGRIN1GRIN2BTYMSFLT3 |
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-106588788-B | The method of one pot of two-step method synthesis 1,2,3- triazole compound | 河南师范大学 | 2019-07-16 | — | — | CN | disclosed |