Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 3/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL431572 | 0.77 | HPGD (0.49) | MAPTHTTALDH1A1HPGDALOX12 | |
| SCHEMBL4975907 | 0.73 | ADRB2 (0.44) | ADRB2ADRB1CXCL8CYP2D6NFKB1 | |
| SCHEMBL3446517 | 0.72 | CTSA (0.48) | MAPTKMT2ACTSA | |
| SCHEMBL7191968 | 0.72 | ADRB2 (0.53) | ADRB2ADRB1CXCL8CYP2D6NFKB1 | |
| SCHEMBL28320409 | 0.72 | ADRB2 (0.58) | ADRB2ADRB1CXCL8CYP2D6NFKB1 | |
| SCHEMBL28320402 | 0.72 | ADRB2 (0.45) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL20780229 | 0.71 | MAPT (0.47) | MAPTHTTGAAMEN1KMT2A | |
| SCHEMBL9180660 | 0.69 | CNR1 (0.40) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL14670399 | 0.68 | CYP2C19 (0.38) | ADRB2ADRB1HPGDCTSA | |
| SCHEMBL11839709 | 0.67 | L3MBTL1 (0.39) | ADRB2MAPTHTTALDH1A1HPGD |
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-110143886-A | The method of the preparation such as beta-aromatic alkamine drug of tulobuterol, Clorprenaline, isoproterenol and Sotalol | 北京化工大学 | 2019-08-20 | — | — | CN | disclosed |