Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | STING1 | Q86WV6 | 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 | |
|---|---|---|---|---|
| SCHEMBL14909898 | 0.85 | KEAP1 (0.39) | KEAP1NFE2L2ACLYADORA2ALMNA | |
| SCHEMBL10161937 | 0.77 | ADORA2A (0.38) | ACLYADORA2ALMNAMAPTMAPK1 | |
| SCHEMBL31056766 | 0.75 | ALDH1A1 (0.43) | ADORA2ALMNAMAPTMAPK1HTT | |
| SCHEMBL1790817 | 0.74 | ACLY (0.45) | KEAP1NFE2L2ACLYLMNAKAT6A | |
| SCHEMBL21988783 | 0.74 | ACLY (0.43) | KEAP1NFE2L2ACLYLMNAKAT6A | |
| SCHEMBL29744459 | 0.72 | KEAP1 (1.00) | KEAP1NFE2L2LMNAMAPK1KDM4E | |
| SCHEMBL113812 | 0.72 | KEAP1 (1.00) | KEAP1NFE2L2LMNAMAPK1KDM4E | |
| SCHEMBL10130662 | 0.71 | ADORA2A (0.36) | ADORA2ALMNAMAPTMAPK1HTT | |
| Hydrochloric Acid SCHEMBL919985 | 0.71 | KEAP1 (0.96) | KEAP1NFE2L2LMNAMAPK1KDM4E | |
| SCHEMBL20462874 | 0.71 | KAT6A (0.61) | ACLYLMNAKAT6AMAPK1KDM4E |
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-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |