Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.34 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20031637 | 0.92 | BRD4 (0.42) | MGLLMAOAMAOBBRD4HRH3 | |
| SCHEMBL22703044 | 0.81 | MGLL (0.35) | MGLLMAOAMAOBBRD4HRH3 | |
| SCHEMBL25016974 | 0.80 | ALDH1A1 (0.52) | MAOBKDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20031893 | 0.76 | GAA (0.46) | KDM4EALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL22703031 | 0.75 | ESR1 (0.50) | KDM4EALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL25017621 | 0.73 | ESR1 (0.56) | MAOAMAOBKDM4EPOLBMIF | |
| SCHEMBL25016866 | 0.72 | ITGB3 (0.40) | MAOAMAOBHRH3AOC3 | |
| SCHEMBL25017625 | 0.70 | BRD4 (0.50) | MAOAMAOBBRD4FFAR1 | |
| SCHEMBL20031643 | 0.70 | MAPK1 (0.42) | MAOAMAOBHRH3ALDH1A1CYP1A2 | |
| SCHEMBL1745079 | 0.69 | GRM5 (0.53) | MAOAMAOBHRH3L3MBTL1KYAT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3518746-B1 | [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR | NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) | 2020-11-25 | — | — | EP | disclosed |