Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6546319 | 0.93 | ADORA3 (0.43) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL6546638 | 0.85 | L3MBTL1 (0.45) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL6545799 | 0.83 | KMT2A (0.52) | MAPK14KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL6545818 | 0.83 | PRKCI (0.43) | PIK3CDPIK3CAPIK3CBPIK3CGKDM4E | |
| SCHEMBL6545699 | 0.76 | KMT2A (0.54) | MAPK14KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL6546712 | 0.76 | EP300 (0.43) | KDM4EALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL6546166 | 0.74 | ADORA3 (0.42) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL3894412 | 0.72 | MAPK14 (0.56) | MAPK14CSNK1E | |
| SCHEMBL6280480 | 0.71 | KDM4E (0.61) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL6546266 | 0.69 | KMT2A (0.53) | MAPK14KDM4EALDH1A1CYP3A4HPGD |
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 |