Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | FADS1 | O60427 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2464299 | 0.97 | — | — | |
| SCHEMBL29895666 | 0.97 | — | — | |
| SCHEMBL1727737 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| SCHEMBL5973715 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| SCHEMBL27566668 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| SCHEMBL1729387 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| SCHEMBL5974127 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| SCHEMBL5973999 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| Hydrochloric Acid SCHEMBL447932 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT | |
| SCHEMBL27518815 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KEAP1BACE1GAAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1235891-C | Process for producing substituted alkylamine derivative | IHARA CHEMICAL IND CO (JP) | 2006-01-11 | — | — | CN | disclosed |
| CN-1366522-A | Process for producing substituted alkylamine derivative | IHARA CHEMICAL IND CO (JP) | 2002-08-28 | — | — | CN | disclosed |