Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL6484075 | 1.00 | TNIK (0.49) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL3058226 | 0.99 | TNIK (0.49) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL3058224 | 0.99 | TNIK (0.49) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| SCHEMBL3042732 | 0.95 | HDAC1 (0.51) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL3045803 | 0.94 | HDAC1 (0.51) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| SCHEMBL6483850 | 0.90 | HDAC1 (0.55) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| SCHEMBL3043168 | 0.90 | HDAC1 (0.55) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL3053527 | 0.89 | HDAC1 (0.54) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL3058388 | 0.89 | HDAC1 (0.54) | TNIKHDAC1HDAC6ADORA2AADORA2B | |
| SCHEMBL5036546 | 0.88 | HDAC1 (0.54) | 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 |