Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.36 |
| ▸ | MAOB | P27338 | 7/20 | 0.36 |
| ▸ | AOC2 | O75106 | 5/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL31015919 | 0.79 | SMN1; SMN2 (0.33) | MAOAMAOBAOC2DAOTSHR | |
| SCHEMBL5914697 | 0.72 | MAOB (0.38) | MAOAMAOBAOC2DAOTSHR | |
| SCHEMBL7557445 | 0.70 | MAOA (0.39) | MAOAMAOBAOC2DAOTSHR | |
| SCHEMBL30146748 | 0.70 | MAOA (0.39) | MAOAMAOBAOC2DAOTSHR | |
| SCHEMBL29458277 | 0.68 | CYP3A4 (0.35) | TSHRCYP2D6NFKB1CYP2C19SMN1; SMN2 | |
| SCHEMBL15528148 | 0.68 | CYP3A4 (0.35) | TSHRCYP2D6NFKB1CYP2C19SMN1; SMN2 | |
| SCHEMBL6723346 | 0.68 | MAOA (0.36) | MAOAMAOBAOC2DAOTSHR | |
| SCHEMBL3310654 | 0.67 | MGAM (0.47) | MAOAMAOBHPGD | |
| SCHEMBL10192535 | 0.67 | MAOA (0.37) | MAOAMAOBAOC2DAONISCH | |
| SCHEMBL8370012 | 0.67 | MGAM (0.47) | MAOAMAOBHPGD |
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-118451066-A | 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure | 辉瑞大药厂 | 2024-08-06 | — | — | CN | disclosed |
| CN-1829786-B | Chroman derivative and liquid-crystal composition containing the compound | DAINIPPON INK & CHEMICALS | 2013-10-02 | — | — | CN | disclosed |