Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20031910 | 0.95 | EGFR (0.44) | EGFRMAPK1KDM4EALDH1A1GLA | |
| SCHEMBL20031646 | 0.91 | EGFR (0.58) | EGFRMAPK1CYP1A2CYP2D6MPO | |
| SCHEMBL20031900 | 0.85 | EGFR (0.53) | EGFRMAPK1CYP1A2CYP2D6MPO | |
| SCHEMBL22702989 | 0.81 | THRA (0.47) | EGFRKDM4EALDH1A1MAPTHTT | |
| SCHEMBL20031909 | 0.78 | MAOB (0.43) | EGFRMAPK1 | |
| SCHEMBL25017016 | 0.78 | BRD4 (0.57) | EGFRMAPK1KDM4EALDH1A1MAPT | |
| SCHEMBL22703046 | 0.77 | EGFR (0.44) | EGFRMAPK1CYP1A2CYP2D6KDM4E | |
| SCHEMBL22683261 | 0.76 | MEN1 (0.46) | EGFRALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL22683256 | 0.76 | BRD4 (0.53) | EGFRKDM4EMAPT | |
| SCHEMBL20031911 | 0.74 | MAOB (0.41) | EGFRMAPK1 |
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 |