Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL22683260 | 0.86 | ITGB3 (0.43) | S1PR1MAOBPDK2 | |
| SCHEMBL20031890 | 0.84 | MAOB (0.38) | KDM4EGLAMAOBEGFRALDH1A1 | |
| SCHEMBL22683256 | 0.83 | BRD4 (0.53) | KDM4ES1PR1MAOBEGFRMAPT | |
| SCHEMBL20031639 | 0.81 | ALB (0.44) | S1PR1MAOBPDK2 | |
| SCHEMBL22702989 | 0.81 | THRA (0.47) | KDM4EMAOBPTPN11EGFRMAPT | |
| SCHEMBL22683259 | 0.79 | BRD4 (0.48) | KDM4ES1PR1MAOBMAPTPDK2 | |
| SCHEMBL25017016 | 0.79 | BRD4 (0.57) | KDM4EMAOBEGFRMAPTPDK2 | |
| SCHEMBL22683275 | 0.78 | ITGB3 (0.38) | S1PR1MAOBPDK2 | |
| SCHEMBL20031911 | 0.78 | MAOB (0.41) | MAOBEGFRMAPK1 | |
| SCHEMBL22683261 | 0.78 | MEN1 (0.46) | MAOBPTPN11EGFRMAPTALDH1A1 |
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 |