Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL28233693 | 0.88 | ACHE (0.38) | ACHELMNACA1CA2CA9 | |
| SCHEMBL28993186 | 0.84 | CA1 (0.44) | ACHECA1CA2CA9CYP3A4 | |
| SCHEMBL28993171 | 0.82 | MEN1 (0.35) | LMNACA1CA2CA9TSHR | |
| SCHEMBL28993179 | 0.82 | PPARA (0.50) | ACHELMNATSHRCYP3A4MEN1 | |
| SCHEMBL28993188 | 0.82 | GAA (0.36) | CYP3A4MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL28993181 | 0.82 | CA4 (0.36) | LMNATSHRCYP3A4MEN1KMT2A | |
| SCHEMBL28993195 | 0.79 | CA1 (0.41) | CA1CA2CA9CYP3A4ALDH1A1 | |
| SCHEMBL28993166 | 0.79 | NPC1 (0.40) | LMNACA1CA2CA9TSHR | |
| SCHEMBL28993183 | 0.79 | NR1H2 (0.39) | ACHECYP3A4MEN1KMT2AMAPT | |
| SCHEMBL28993170 | 0.78 | ACHE (0.46) | ACHELMNAKMT2ATDP1ALDH1A1 |
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-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 |