Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27664376 | 0.84 | MEN1 (0.47) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL28147393 | 0.81 | BACE1 (0.44) | MEN1KMT2AMAOBMAOAL3MBTL1 | |
| SCHEMBL5193159 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL28769206 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL561095 | 0.74 | MAOB (0.62) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL27761950 | 0.74 | MAOB (0.48) | MEN1KMT2AMAOBLMNAMAOA | |
| SCHEMBL27577521 | 0.73 | MAOB (0.47) | MEN1KMT2AMAOBMAOAALOX5 | |
| SCHEMBL23638550 | 0.72 | CYP1A2 (0.49) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL28849620 | 0.72 | MAOB (0.49) | CYP1A2CYP1A1CYP19A1MEN1KMT2A | |
| SCHEMBL6188338 | 0.71 | ALOX5 (0.55) | CYP1A2MAOBLMNAPTGS1SLC6A2 |
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-102827097-B | The beta-2-agonists its preparation method of enantiomeric pure and the purposes in medicament forms thereof | 贝林格尔英格海姆法玛两合公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-106146425-A | The beta-agonists its preparation method of new enantiomeric pure and the purposes in medicament forms thereof | 贝林格尔英格海姆法玛两合公司 | 2016-11-23 | — | — | CN | disclosed |