Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.64 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.60 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.60 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL8705590 | 0.93 | ADORA1 (0.64) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL5028596 | 0.89 | ADORA2B (0.71) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL5030849 | 0.84 | ADORA2A (0.65) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL27713795 | 0.84 | SIRT1 (0.68) | ADORA2AADORA2BADORA1SIRT1SIRT3 | |
| SCHEMBL4419729 | 0.84 | ADORA2B (0.64) | ADORA2AADORA2BADORA1SIRT1SIRT3 | |
| SCHEMBL4563476 | 0.84 | ADORA2B (0.64) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL4760042 | 0.83 | ADORA3 (0.64) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL5035070 | 0.83 | ADORA2A (0.60) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL5035024 | 0.83 | ADORA2A (0.58) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL4412938 | 0.83 | ADORA2A (0.58) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0449175-B1 | Selective adenosine receptor agents | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | claimed |
| EP-0449175-A2 | Selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1991-10-02 | — | — | EP | claimed |
| US-5047534-A | Xanthine derivatives; hyupotensive agents, cardiotonic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-09-10 | — | — | US | claimed |
| EP-0449175-B1 | Selective adenosine receptor agents | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0449175-A2 | Selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1991-10-02 | — | — | EP | disclosed |
| US-5047534-A | Xanthine derivatives; hyupotensive agents, cardiotonic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-09-10 | — | — | US | disclosed |