Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20357553 | 0.87 | AR (0.48) | ARALDH1A1KDM4EUSP2SLC6A4 | |
| SCHEMBL2992329 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ESLC6A4SMN1; SMN2TEAD4 | |
| SCHEMBL29688467 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2TEAD4 | |
| SCHEMBL1155719 | 0.84 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TEAD4 | |
| SCHEMBL31457276 | 0.84 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TEAD4 | |
| SCHEMBL3003478 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2TEAD4 | |
| SCHEMBL7020181 | 0.83 | AR (0.46) | ARALDH1A1KDM4EUSP2SLC6A4 | |
| SCHEMBL922953 | 0.83 | AR (0.62) | ARALDH1A1LRRK2SLC6A4SCN9A | |
| SCHEMBL2748671 | 0.83 | AR (0.51) | ARALDH1A1KDM4EUSP2LRRK2 | |
| SCHEMBL27438050 | 0.82 | AR (0.60) | ARLRRK2SLC6A4 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |