Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.47 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.47 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
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 SCHEMBL3048007 | 0.99 | HDAC1 (0.51) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| SCHEMBL3047088 | 0.97 | HDAC1 (0.49) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3054603 | 0.96 | HDAC1 (0.49) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| SCHEMBL5036546 | 0.92 | HDAC1 (0.54) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3048068 | 0.91 | HDAC1 (0.54) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| SCHEMBL6485716 | 0.91 | HDAC1 (0.54) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| SCHEMBL6481675 | 0.91 | ALK (0.54) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3051261 | 0.91 | TRPV4 (0.53) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| SCHEMBL3039082 | 0.91 | HDAC1 (0.53) | HDAC1HDAC6ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL3053390 | 0.90 | KIT (0.53) | HDAC1HDAC6ADORA2AADORA2BADORA1 |
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 |