Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | UBE2I | P63279 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9347577 | 0.88 | ADORA2A (0.67) | MAPTKDM4EALDH1A1TSHRGAA | |
| SCHEMBL8990539 | 0.88 | MAPT (0.58) | MAPTKDM4EALDH1A1TSHRGAA | |
| SCHEMBL8990784 | 0.76 | ADORA2A (0.69) | MAPTKDM4EALDH1A1TSHRHPGD | |
| SCHEMBL6335176 | 0.69 | CA1 (0.57) | MAPTALDH1A1TSHRADORA2AADORA3 | |
| SCHEMBL8990684 | 0.69 | ADORA2A (0.65) | MAPTKDM4EALDH1A1TSHRGAA | |
| SCHEMBL8990534 | 0.69 | ADORA2A (0.65) | MAPTKDM4EALDH1A1TSHRGAA | |
| SCHEMBL8990532 | 0.69 | SMN1; SMN2 (0.41) | MAPTKDM4EALDH1A1TSHRGAA | |
| SCHEMBL7169942 | 0.69 | ADORA2A (0.52) | MAPTKDM4EALDH1A1TSHRGAA | |
| SCHEMBL8990616 | 0.68 | MAPT (0.43) | MAPTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5163090 | 0.66 | ADORA2A (0.77) | MAPTKDM4EALDH1A1GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5500428-A | Furyl-substituted purines and adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-03-19 | — | — | US | disclosed |
| US-5300509-A | Adenosine antagonists for treating cardiovascular disorders, vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-04-05 | — | — | US | disclosed |
| EP-0544445-A2 | Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |