Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406857 | 1.00 | GAA (0.49) | GAAKEAP1MAPK1NPC1AR | |
| Hydrochloric Acid SCHEMBL7419294 | 0.98 | GAA (0.47) | GAAKEAP1MAPK1NPC1AR | |
| SCHEMBL7408726 | 0.98 | GAA (0.46) | GAAKEAP1MAPK1NPC1AR | |
| SCHEMBL945417 | 0.84 | GAA (0.50) | GAAKEAP1MAPK1NPC1AR | |
| SCHEMBL7597056 | 0.82 | ADRB1 (0.56) | MAPTNCF1ALDH1A1HPGD | |
| SCHEMBL7597061 | 0.82 | ADRB1 (0.56) | MAPTNCF1ALDH1A1HPGD | |
| SCHEMBL31388211 | 0.81 | GAA (0.45) | GAAKEAP1MAPK1NPC1ALDH1A3 | |
| SCHEMBL28452171 | 0.77 | KEAP1 (0.52) | GAAKEAP1MAPK1NPC1ALDH1A3 | |
| SCHEMBL10628578 | 0.77 | KEAP1 (0.52) | GAAKEAP1MAPK1NPC1AR | |
| SCHEMBL1982675 | 0.77 | KEAP1 (0.52) | GAAKEAP1MAPK1NPC1ALDH1A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6013656-A | PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; NERVOUSSYSTEM DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-01-11 | — | — | US | disclosed |
| US-5849760-A | 2-(arylalkenyl)azacycloalkane derivatives as ligands for sigma receptors | INSTITUT DE RECHERCHE JOUVEINAL (FR) | 1998-12-15 | — | — | US | disclosed |