Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1847530 | 0.99 | ADORA3 (0.59) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1850813 | 0.92 | ADORA3 (0.67) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1848987 | 0.92 | ADORA3 (0.67) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1848986 | 0.92 | ADORA3 (0.67) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1848774 | 0.89 | ADORA3 (0.60) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1854921 | 0.89 | ADORA3 (0.60) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1854920 | 0.89 | ADORA3 (0.60) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1848769 | 0.89 | ADORA3 (0.60) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1848771 | 0.89 | ADORA3 (0.60) | ADORA3ADORA2AADORA1ADORA2BACHE | |
| SCHEMBL1850792 | 0.89 | RAB9A (0.48) | ADORA3ADORA2AADORA1ACHEALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2197860-B1 | NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS | PALOBIOFARMA SL (ES) | 2011-05-25 | — | — | EP | claimed |
| US-8410282-B2 | Compounds as adenosine A1 receptor antagonists | PALOBIOFARMA, S.L. (ES) | 2013-04-02 | — | — | US | disclosed |