Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5173443 | 0.86 | GAA (0.48) | AKR1B1CA2RXRARXRBRXRG | |
| SCHEMBL31478167 | 0.81 | AKR1B1 (0.58) | AKR1B1CA2RXRARXRBRXRG | |
| SCHEMBL21382554 | 0.80 | PRMT5 (0.40) | CA2PRMT5WDR77FFAR4 | |
| SCHEMBL3838996 | 0.79 | RXRB (0.62) | AKR1B1RXRARXRBRXRGKDM4E | |
| SCHEMBL5527444 | 0.78 | RXRB (0.65) | AKR1B1RXRARXRBRXRGKDM4E | |
| SCHEMBL19996854 | 0.78 | RXRB (0.60) | AKR1B1RXRARXRBRXRGKDM4E | |
| SCHEMBL9123053 | 0.76 | PRMT5 (0.38) | KDM4EHSD17B10PRMT5WDR77 | |
| SCHEMBL21382504 | 0.76 | PRMT5 (0.38) | PRMT5WDR77 | |
| SCHEMBL28840799 | 0.76 | PRMT5 (0.38) | PRMT5WDR77 | |
| SCHEMBL26574191 | 0.76 | KDM4E (0.45) | CA2KDM4EMAPTHSD17B10LMNA |
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-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |