Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.44 |
| ▸ | FEN1 | P39748 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155444 | 0.85 | ALDH1A1 (0.44) | ALDH1A1KDM4EUSP2ALOX5APFEN1 | |
| SCHEMBL3356525 | 0.80 | KDM4E (0.50) | ALDH1A1KDM4EUSP2GAAMEN1 | |
| SCHEMBL3294014 | 0.76 | SLC22A12 (0.45) | ALDH1A1ALOX5APFEN1GAASMN1; SMN2 | |
| SCHEMBL18921106 | 0.76 | MEN1 (0.52) | ALDH1A1KDM4EALOX5APFEN1MEN1 | |
| SCHEMBL4796174 | 0.75 | MAP4K4 (0.47) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4800348 | 0.74 | ALDH1A1 (0.41) | ALDH1A1KDM4EUSP2GAAMEN1 | |
| SCHEMBL10638695 | 0.73 | ALOX5AP (0.42) | ALDH1A1KDM4EALOX5APFEN1GAA | |
| SCHEMBL3370657 | 0.72 | ALOX5AP (0.44) | ALDH1A1KDM4EUSP2ALOX5APFEN1 | |
| SCHEMBL2747966 | 0.72 | PLAU (0.53) | ALDH1A1KDM4EUSP2MEN1KMT2A | |
| SCHEMBL169682 | 0.72 | KMT2A (0.55) | ALDH1A1KDM4EGAAMEN1KMT2A |
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 |