Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871970 | 0.87 | ADORA2A (0.43) | ADORA2AHPGDMAPTHDAC1HDAC6 | |
| SCHEMBL6870464 | 0.85 | ADORA2A (0.42) | ADORA2AALDH1A1MAPTHDAC1HDAC6 | |
| SCHEMBL6870499 | 0.84 | ADORA2A (0.59) | ADORA2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6867399 | 0.84 | ADORA2A (0.67) | ADORA2AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL6863079 | 0.84 | ADORA2A (0.42) | ADORA2AHPGD | |
| SCHEMBL6869056 | 0.83 | ADORA2A (0.66) | ADORA2AHPGD | |
| SCHEMBL6867491 | 0.82 | ADORA2A (0.47) | ADORA2AHDAC1HDAC6 | |
| SCHEMBL7427221 | 0.81 | KDM4E (0.40) | ADORA2AALDH1A1HPGDKDM4EPOLB | |
| SCHEMBL6871621 | 0.81 | CAMK2D (0.40) | ADORA2AALDH1A1HPGDMAPTHDAC1 | |
| SCHEMBL6870459 | 0.80 | ADORA2A (0.43) | ADORA2AALDH1A1HPGDKDM4EMAPT |
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 2 patents. 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 |
| US-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |