Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAP3K9 | P80192 | 3/20 | 0.42 |
| ▸ | MAP3K11 | Q16584 | 3/20 | 0.42 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.42 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL25016974 | 0.92 | ALDH1A1 (0.52) | GAAALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22703031 | 0.86 | ESR1 (0.50) | GAAALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL20031637 | 0.81 | BRD4 (0.42) | GAAALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL25017625 | 0.80 | BRD4 (0.50) | — | |
| SCHEMBL25016866 | 0.78 | ITGB3 (0.40) | ACHE | |
| SCHEMBL25016973 | 0.77 | CYP1A2 (0.46) | ALDH1A1KDM4ECYP1A2SLC11A2MIF | |
| SCHEMBL22703045 | 0.76 | MGLL (0.37) | GAAALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL25018113 | 0.75 | BRD4 (0.45) | ACHE | |
| SCHEMBL25017621 | 0.74 | ESR1 (0.56) | KDM4EMIFNTRK1POLBMAPK14 | |
| SCHEMBL25017019 | 0.74 | ITGB3 (0.38) | GAAALDH1A1KDM4EL3MBTL1MIF |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018063105-A1 | [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2018-04-05 | — | — | WO | disclosed |