Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30148842 | 0.97 | AKR1B1 (0.40) | AKR1B1HRH1MCL1ALDH1A1KDM4E | |
| SCHEMBL28840757 | 0.89 | AKR1B1 (0.42) | AKR1B1HRH1MCL1ALDH1A1KDM4E | |
| SCHEMBL28953082 | 0.86 | AKR1B1 (0.42) | AKR1B1HRH1MCL1ALDH1A1KDM4E | |
| SCHEMBL28841078 | 0.85 | AKR1B1 (0.41) | AKR1B1HRH1MCL1ALDH1A1KDM4E | |
| SCHEMBL28841014 | 0.83 | AKR1B1 (0.44) | AKR1B1HRH1MCL1ALDH1A1KDM4E | |
| SCHEMBL4468522 | 0.75 | ENTPD5 (0.40) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL28841012 | 0.74 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDKMT2ARAB9A | |
| SCHEMBL9327652 | 0.73 | CTNNB1 (0.55) | AKR1B1ALDH1A1HPGDHSD17B10RAB9A | |
| SCHEMBL1403662 | 0.72 | FABP4 (0.56) | AKR1B1MAPTRAB9APOLBNPC1 | |
| SCHEMBL30148835 | 0.72 | BACE1 (0.41) | MAPTLMNABLM |
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-115521325-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-12-27 | — | — | CN | disclosed |