Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1594594 | 0.78 | ALDH1A1 (0.53) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL6667896 | 0.78 | CA1 (0.39) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL3378773 | 0.78 | CA1 (0.39) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL2143927 | 0.78 | CA1 (0.42) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL14142241 | 0.78 | ALDH1A1 (0.44) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL7355054 | 0.78 | CA1 (0.39) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL1793776 | 0.76 | CA1 (0.38) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL8718909 | 0.76 | CA1 (0.38) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL5608467 | 0.76 | CA1 (0.40) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL4908819 | 0.75 | TRPV1 (0.38) | CA1CA2CA9ALDH1A1HPGD |
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-114874244-B | Preparation method of aryl borate or alkyl borate compound | 中国科学院兰州化学物理研究所 | 2023-12-01 | — | — | CN | disclosed |
| CN-114874244-A | Preparation method of arylboronic acid ester or alkyl boronate compound | 中国科学院兰州化学物理研究所 | 2022-08-09 | — | — | CN | disclosed |