Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14910832 | 0.74 | LRRK2 (0.48) | LRRK2MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL3378512 | 0.73 | MAPT (0.52) | LRRK2MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL4772127 | 0.72 | MAPT (0.49) | MAPTALDH1A1HPGDL3MBTL1MEN1 | |
| SCHEMBL21893900 | 0.68 | ADRB1 (0.62) | CNR2MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL3278272 | 0.68 | MEN1 (0.48) | LRRK2CNR2MAPTL3MBTL1MEN1 | |
| SCHEMBL1309817 | 0.68 | PIK3CA (0.55) | LRRK2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL5109073 | 0.67 | CYP2A6 (0.51) | ALDH1A1HPGDNPC1RAB9AKDM4E | |
| SCHEMBL100931 | 0.67 | CHRNB2 (0.60) | LRRK2MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL15400762 | 0.67 | LRRK2 (1.00) | LRRK2 | |
| SCHEMBL16094620 | 0.66 | CCR5 (0.43) | MAPTALDH1A1HPGDMEN1NPC1 |
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 |