Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 8/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6546891 | 0.92 | ADORA3 (0.46) | ADORA3ADORA1ADORA2ACHRM5HTR2A | |
| SCHEMBL6546557 | 0.87 | ADORA3 (0.49) | ADORA3ADORA1ADORA2ACHRM5HTR2A | |
| SCHEMBL6281626 | 0.86 | ADORA3 (0.63) | ADORA3ADORA1ADORA2ACHRM5HTR2A | |
| SCHEMBL6545521 | 0.85 | ALDH1A1 (0.54) | ADORA3ADORA1ADORA2ACHRM5HTR2A | |
| SCHEMBL6546577 | 0.85 | ADORA3 (0.48) | ADORA3ADORA1ADORA2ACHRM5HTR2A | |
| SCHEMBL6546188 | 0.84 | MAPT (0.60) | ABL1SMN1; SMN2PIK3CAPIK3CGKDM4E | |
| SCHEMBL6546531 | 0.84 | XIAP (0.50) | ADORA3ADORA1ADORA2ACHRM5HTR2A | |
| SCHEMBL6547147 | 0.83 | ABL1 (0.43) | ABL1NPC1RAB9ASMN1; SMN2PIK3CA | |
| SCHEMBL6545775 | 0.82 | PIK3CD (0.49) | ABL1NPC1RAB9ASMN1; SMN2PIK3CA | |
| SCHEMBL6546216 | 0.81 | ADORA3 (0.62) | ADORA3ADORA1ADORA2ACHRM5HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027050-B1 | 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-01-14 | — | — | EP | disclosed |
| US-6620825-B1 | 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| US-6436966-B1 | Adenosine A3 receptor antagonists | TAKEDA CHEMICAL IND., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |