Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.44 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL28321109 | 0.78 | TRPV6 (0.52) | TRPV6ORAI1ORAI2ORAI3MGLL | |
| SCHEMBL646662 | 0.78 | TRPV6 (0.52) | TRPV6ORAI1ORAI2ORAI3MGLL | |
| SCHEMBL20557365 | 0.78 | ACHE (0.42) | TRPV6ORAI1ORAI2ORAI3ALDH1A1 | |
| SCHEMBL7103574 | 0.76 | TRPV6 (0.50) | TRPV6ORAI1ORAI2ORAI3MGLL | |
| Ammonia Solution, Strong SCHEMBL29013463 | 0.76 | TRPV6 (0.50) | TRPV6ORAI1ORAI2ORAI3MGLL | |
| SCHEMBL28464653 | 0.75 | LPL (0.48) | ALDH1A1 | |
| SCHEMBL28454846 | 0.75 | CA1 (0.38) | MGLLMAOBALDH1A1CA1CA2 | |
| SCHEMBL2807977 | 0.74 | LTA4H (0.39) | ALDH1A1CA1CA2CHRNB2CHRNB4 | |
| SCHEMBL4442321 | 0.73 | CA1 (0.47) | TRPV6ORAI1ORAI2ORAI3MGLL | |
| SCHEMBL30462559 | 0.73 | KIF11 (0.53) | TRPV6ORAI1ORAI2ORAI3MGLL |
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-111718363-B | Preparation method of borate compound | 中国科学院化学研究所 | 2021-07-13 | — | — | CN | disclosed |
| CN-111718363-A | Preparation method of borate compound | 中国科学院化学研究所 | 2020-09-29 | — | — | CN | disclosed |