Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22703025 | 0.93 | PPARA (0.33) | HSD11B1HSD11B2KDM4EGLADRD2 | |
| SCHEMBL20031890 | 0.83 | MAOB (0.38) | HSD11B1HSD11B2KDM4EGLAMEN1 | |
| SCHEMBL20031911 | 0.78 | MAOB (0.41) | MAPK1 | |
| SCHEMBL20031650 | 0.74 | MAOB (0.38) | MAPK1 | |
| SCHEMBL20031873 | 0.74 | MAOB (0.38) | — | |
| SCHEMBL20031904 | 0.74 | THRA (0.43) | KDM4EMEN1HPGDKMT2AALDH1A1 | |
| SCHEMBL20031909 | 0.74 | MAOB (0.43) | MAPK1 | |
| SCHEMBL22683257 | 0.73 | MAOB (0.39) | MEN1KMT2AALDH1A1MAPTL3MBTL1 | |
| SCHEMBL22703070 | 0.69 | THRA (0.35) | — | |
| SCHEMBL20031661 | 0.69 | KDM4E (0.42) | KDM4EGLAALDH1A1MAPK1LMNA |
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 |