Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.40 |
| ▸ | MIF | P14174 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25016883 | 0.83 | EGFR (0.42) | EGFRMIFMAPK1LMNASMN1; SMN2 | |
| SCHEMBL20031659 | 0.83 | MIF (0.44) | EGFRMIFMAPK1KDM4EALDH1A1 | |
| SCHEMBL22683261 | 0.81 | MEN1 (0.46) | EGFRMIFALDH1A1 | |
| SCHEMBL20031910 | 0.80 | EGFR (0.44) | EGFRMAPK1KDM4EALDH1A1LMNA | |
| SCHEMBL22683259 | 0.77 | BRD4 (0.48) | MIFKDM4EALDH1A1FNTAFNTB | |
| SCHEMBL20031875 | 0.76 | EGFR (0.51) | EGFRMAPK1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20031646 | 0.76 | EGFR (0.58) | EGFRMAPK1KDM4EALDH1A1 | |
| SCHEMBL22703046 | 0.76 | EGFR (0.44) | EGFRMIFMAPK1KDM4EALDH1A1 | |
| SCHEMBL22683257 | 0.75 | MAOB (0.39) | EGFRMIFALDH1A1 | |
| SCHEMBL20031639 | 0.75 | ALB (0.44) | AKR1B1 |
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 |