Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.61 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990659 | 0.85 | ADORA3 (0.56) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| SCHEMBL8990761 | 0.83 | APP (0.51) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| SCHEMBL8990782 | 0.81 | LMNA (0.71) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| SCHEMBL6335176 | 0.80 | CA1 (0.57) | ADORA3ADORA2AADORA1ABL1RIN1 | |
| SCHEMBL8990589 | 0.79 | APP (0.71) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| Hydrochloric Acid SCHEMBL5471522 | 0.78 | APP (0.69) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| SCHEMBL31410965 | 0.77 | APP (0.60) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| SCHEMBL5159031 | 0.76 | ADORA2A (0.64) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL4373076 | 0.76 | ADORA3 (0.55) | ADORA3ADORA2AADORA1ADORA2BAPP | |
| SCHEMBL6687730 | 0.73 | MAPT (0.86) | MAPTCA1CA2CA9TSHR |
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 |