Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 SCHEMBL461466 | 0.94 | CES1 (0.36) | CA1CA2 | |
| SCHEMBL27916215 | 0.93 | TSHR (0.37) | TSHRALDH1A1ADRB2ADRB1ADRB3 | |
| Boric Acid SCHEMBL28543765 | 0.92 | CES1 (0.39) | CA1CA2 | |
| Boric Acid SCHEMBL28142311 | 0.92 | CES1 (0.39) | CA1CA2 | |
| Boric Acid SCHEMBL28283423 | 0.92 | CES1 (0.39) | CA1CA2 | |
| Boric Acid SCHEMBL28283434 | 0.92 | CES1 (0.39) | CA1CA2 | |
| Boric Acid SCHEMBL28283412 | 0.92 | CES1 (0.39) | CA1CA2 | |
| Boric Acid SCHEMBL29150377 | 0.92 | CES1 (0.39) | CA1CA2 | |
| SCHEMBL16465846 | 0.86 | CES1 (0.39) | CA1CA2 | |
| SCHEMBL9940082 | 0.84 | CES1 (0.38) | CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117945995-A | Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof | 中国科学院青海盐湖研究所 | 2024-04-30 | — | — | CN | claimed |
| 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 |