Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.47 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3049704 | 0.99 | HDAC1 (0.50) | HDAC1HDAC8HDAC6CHRM4DUSP3 | |
| SCHEMBL6476277 | 0.91 | DUSP3 (0.53) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3045899 | 0.90 | DUSP3 (0.53) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| SCHEMBL3047875 | 0.90 | CHRM4 (0.57) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3050847 | 0.89 | CHRM4 (0.56) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| SCHEMBL6477408 | 0.88 | DUSP3 (0.52) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| SCHEMBL3055622 | 0.87 | DUSP3 (0.51) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3050899 | 0.87 | DUSP3 (0.51) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3058132 | 0.86 | DUSP3 (0.50) | CHRM4DUSP3ADORA2AADORA2BADORA1 | |
| SCHEMBL3057471 | 0.86 | DUSP3 (0.50) | CHRM4DUSP3MAPTADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6963000-B2 | Benzothiazole derivatives with activity as adenosine receptor ligands | HOFFMAN-LA ROCHE INC. (US) | 2005-11-08 | — | — | US | claimed |