Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28034057 | 0.98 | CES2 (0.52) | CES2CES1BTKHPGDHSD17B10 | |
| SCHEMBL28033479 | 0.96 | BTK (0.46) | CES2CES1BTKHPGDHSD17B10 | |
| SCHEMBL5730343 | 0.82 | GABRP (0.43) | BTKHPGDHSD17B10SMN1; SMN2EPHX1 | |
| SCHEMBL3633724 | 0.80 | SLC6A1 (0.50) | BTKHPGDHSD17B10SMN1; SMN2MEN1 | |
| SCHEMBL375168 | 0.78 | HPGD (0.39) | CES2CES1BTKHPGDHSD17B10 | |
| SCHEMBL1764699 | 0.77 | HRH3 (0.49) | CES2CES1BTKHPGDHSD17B10 | |
| SCHEMBL4754523 | 0.77 | CHRNB2 (0.34) | BTKHPGDGAACHRM2CHRM1 | |
| SCHEMBL11717084 | 0.76 | BTK (0.38) | CES2CES1BTKHPGDHSD17B10 | |
| SCHEMBL11752523 | 0.76 | HRH3 (0.47) | CES2CES1BTKHPGDHSD17B10 | |
| SCHEMBL31356450 | 0.76 | HRH3 (0.47) | CES2CES1BTKHPGDHSD17B10 |
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-104974001-A | Method for synthesizing beta-branched chain alpha-amino ester | CHINESE ACAD INST CHEMISTRY | 2015-10-14 | — | — | CN | disclosed |