Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.41 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.41 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7173455 | 0.91 | CYP1A2 (0.48) | CYP2C19CYP1A2CYP2C9CYP3A4MAPK1 | |
| SCHEMBL36629 | 0.91 | CYP1A2 (0.48) | CYP2C19CYP1A2CYP2C9CYP3A4MAPK1 | |
| Boric Acid SCHEMBL28359306 | 0.82 | TSHR (0.50) | CYP2C19CYP1A2CYP2C9MAPK1TSHR | |
| SCHEMBL7743285 | 0.81 | CYP1A2 (0.46) | CYP2C19CYP1A2CYP2C9CYP3A4MAPK1 | |
| Boric Acid SCHEMBL29150385 | 0.81 | NR1H2 (0.50) | CYP2C19CYP3A4MAPK1ALDH1A1TRPV6 | |
| Methoxymethane SCHEMBL2856857 | 0.80 | KCNN4 (0.48) | CYP2C19CYP1A2CYP2C9CYP3A4MAPK1 | |
| SCHEMBL982540 | 0.80 | ALDH1A1 (0.42) | CYP2C19CYP1A2CYP2C9CYP3A4MAPK1 | |
| SCHEMBL25220200 | 0.78 | TSHR (0.43) | CYP2C19CYP1A2CYP2C9CYP3A4MAPK1 | |
| SCHEMBL11511851 | 0.78 | TSHR (0.61) | CYP1A2MAPK1TRPV6TSHRORAI1 | |
| SCHEMBL2864477 | 0.78 | TSHR (0.61) | CYP1A2MAPK1TRPV6TSHRORAI1 |
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 6 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-116813821-A | Nickel or palladium catalyst and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-09-29 | — | — | CN | disclosed |
| CN-113292582-B | Synthesis and application of bifunctional fluorescent probe capable of distinguishing hydroxyl free radicals and hydrogen peroxide simultaneously | 湖南师范大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-113292582-A | Synthesis and application of bifunctional fluorescent probe capable of distinguishing hydroxyl free radicals and hydrogen peroxide simultaneously | 湖南师范大学 | 2021-08-24 | — | — | CN | disclosed |
| CN-111184877-B | Nano contrast medium for electronic computer tomography imaging and preparation method thereof | 同济大学 | 2021-08-06 | — | — | CN | disclosed |
| CN-111184877-A | Nano contrast medium for electronic computer tomography imaging and preparation method thereof | 同济大学 | 2020-05-22 | — | — | CN | disclosed |