Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6869952 | 0.91 | ADORA2A (0.52) | ADORA2AHDAC1HDAC6PARP1GAA | |
| SCHEMBL6867481 | 0.90 | ADORA2A (0.51) | ADORA2ALIMK1LIMK2GAAHPGD | |
| SCHEMBL6873020 | 0.83 | ADORA2A (0.53) | ADORA2APKMHDAC1HDAC6PARP1 | |
| SCHEMBL6868330 | 0.82 | ADORA2A (0.45) | ADORA2AHDAC1HDAC6LIMK1LIMK2 | |
| SCHEMBL6863423 | 0.80 | ADORA2A (0.43) | ADORA2APKMHDAC1HDAC6PARP1 | |
| SCHEMBL6867466 | 0.79 | ADORA2A (0.49) | ADORA2AHPGD | |
| SCHEMBL6863726 | 0.73 | ADORA2A (0.56) | ADORA2AHDAC1HDAC6GAAHPGD | |
| SCHEMBL6869823 | 0.73 | ADORA2A (0.56) | ADORA2AGAAHPGD | |
| SCHEMBL6870656 | 0.73 | ADORA2A (0.59) | ADORA2AGAAHPGD | |
| SCHEMBL6870680 | 0.73 | ADORA2A (0.60) | ADORA2AGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |