Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.65 |
| ▸ | ADK | P55263 | 7/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | METTL3 | Q86U44 | 5/20 | 0.47 |
| ▸ | ADA | P00813 | 1/20 | 0.45 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL474780 | 1.00 | ADORA2A (0.65) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL2788245 | 0.89 | ADK (0.56) | ADORA2AADKMETTL3DOT1LNPC1 | |
| SCHEMBL2788742 | 0.89 | ADK (0.56) | ADORA2AADKMETTL3DOT1LNPC1 | |
| SCHEMBL3229703 | 0.89 | ADORA2A (0.67) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL474796 | 0.88 | ADORA2A (0.66) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL873435 | 0.88 | ADORA2A (0.66) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL18200214 | 0.88 | ADORA2A (0.66) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL14544819 | 0.88 | ADORA2A (0.66) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL15241391 | 0.88 | ADORA2A (0.66) | ADORA2AADKADORA3ADORA2BADORA1 | |
| SCHEMBL24837545 | 0.87 | ADORA2A (0.65) | ADORA2AADKADORA3ADORA2BADORA1 |
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-2618665-A1 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-1476169-B1 | Inhibiting orthopoxvirus replication with nucleoside compounds | MERCK SHARP & DOHME (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2012040040-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-03-29 | — | — | WO | disclosed |