Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL20031875 | 0.95 | EGFR (0.51) | EGFRCYP19A1CYP11B1CYP11B2MAPK1 | |
| SCHEMBL22702989 | 0.86 | THRA (0.47) | EGFRMAOBKDM4EALDH1A1HPGD | |
| SCHEMBL20031646 | 0.84 | EGFR (0.58) | EGFRCYP19A1CYP11B2MAPK1GLA | |
| SCHEMBL20031909 | 0.82 | MAOB (0.43) | EGFRMAPK1MAOBMAOA | |
| SCHEMBL25017016 | 0.82 | BRD4 (0.57) | EGFRMAPK1MAOBKDM4EALDH1A1 | |
| SCHEMBL22703046 | 0.81 | EGFR (0.44) | EGFRMAPK1GLAMAOBMAOA | |
| SCHEMBL22683261 | 0.80 | MEN1 (0.46) | EGFRMAOBALDH1A1MAPTL3MBTL1 | |
| SCHEMBL22683256 | 0.80 | BRD4 (0.53) | EGFRMAOBMAOAKDM4EMAPT | |
| SCHEMBL20031900 | 0.78 | EGFR (0.53) | EGFRMAPK1GLAKDM4EALDH1A1 | |
| SCHEMBL20031911 | 0.78 | MAOB (0.41) | EGFRMAPK1MAOBMAOA |
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 |