Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA5A | P35218 | 4/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.61 |
| ▸ | FLT3 | P36888 | 5/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29158522 | 0.94 | CA1 (0.68) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL28319782 | 0.86 | FLT3 (0.60) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL16220810 | 0.84 | CA1 (0.68) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL28937436 | 0.82 | FLT3 (0.58) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL28148270 | 0.80 | CA2 (0.57) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL22340293 | 0.79 | FLT3 (0.56) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL18023900 | 0.78 | PTGS2 (0.58) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL12522541 | 0.78 | FLT3 (0.73) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL30185436 | 0.76 | FLT3 (0.52) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL30185433 | 0.76 | FLT3 (0.52) | CA1CA2CA5ACA5BFLT3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106588787-B | A kind of application of the triazole of 1,2,3- containing sweet-smelling formacyl ligand | 昆明理工大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-106588787-A | Arylformyl group-containing 1,2,3-triazole ligand, and preparation method and application thereof | 昆明理工大学 | 2017-04-26 | — | — | CN | disclosed |