Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL23616124 | 0.84 | CLCN2 (0.44) | NPC1GAARAB9ACLCN2GRIK1 | |
| SCHEMBL23616119 | 0.79 | AKR1C3 (0.55) | NPC1GAARAB9AMEN1KMT2A | |
| SCHEMBL19902996 | 0.78 | KMT2A (0.52) | NPC1GAARAB9ASMN1; SMN2MAPT | |
| SCHEMBL22383441 | 0.77 | GAA (0.45) | NPC1GAARAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20976784 | 0.75 | CHRNA4 (0.42) | — | |
| SCHEMBL14555058 | 0.74 | HCRTR2 (0.36) | — | |
| SCHEMBL21118611 | 0.73 | KDM4E (0.51) | SMN1; SMN2ALDH1A1KDM4EMPO | |
| SCHEMBL22365614 | 0.73 | MEN1 (0.47) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL16482031 | 0.72 | GAA (0.43) | NPC1GAARAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL3810854 | 0.71 | CLCN2 (0.52) | GAACLCN2GRIK1KEAP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3115362-B1 | PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2019-06-12 | — | — | EP | disclosed |