Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 SCHEMBL3037965 | 0.99 | CHRM4 (0.53) | CHRM4TP53MAPTADORA2AADORA2B | |
| SCHEMBL6481259 | 0.93 | ADORA2B (0.53) | CHRM4ADORA2AADORA2BADORA1DUSP3 | |
| Hydrochloric Acid SCHEMBL3048033 | 0.92 | ADORA2B (0.53) | CHRM4ADORA2AADORA2BADORA1DUSP3 | |
| SCHEMBL3049501 | 0.88 | CHRM4 (0.55) | CHRM4TP53MAPTADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL3042509 | 0.88 | CHRM4 (0.54) | CHRM4TP53MAPTADORA2AADORA2B | |
| SCHEMBL6486465 | 0.87 | ADORA2B (0.54) | CHRM4ADORA2AADORA2BADORA1DUSP3 | |
| SCHEMBL6483836 | 0.86 | ADORA2B (0.53) | CHRM4ADORA2AADORA2BADORA1DUSP3 | |
| Hydrochloric Acid SCHEMBL3059825 | 0.86 | ADORA2B (0.53) | CHRM4ADORA2AADORA2BADORA1DUSP3 | |
| Hydrochloric Acid SCHEMBL3043464 | 0.86 | ADORA2B (0.52) | CHRM4ADORA2AADORA2BADORA1DUSP3 | |
| SCHEMBL3049496 | 0.85 | TP53 (0.52) | CHRM4TP53MAPTLMNAPOLB |
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 |