Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.56 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.51 |
| ▸ | PI4KA | P42356 | 2/20 | 0.51 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.51 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.51 |
| ▸ | AHCY | P23526 | 8/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | SLC28A1 | O00337 | 1/20 | 0.47 |
| ▸ | SLC28A2 | O43868 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7799930 | 0.87 | ADORA2A (0.53) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL9836909 | 0.77 | EGFR (0.54) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL9837955 | 0.76 | HDAC6 (0.46) | — | |
| SCHEMBL10172070 | 0.76 | ADORA2A (0.58) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL9836332 | 0.76 | AHCY (0.60) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL10172012 | 0.76 | ADORA2A (0.58) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL10172072 | 0.76 | ADORA2A (0.58) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL19575549 | 0.76 | AHCY (0.60) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL1871838 | 0.75 | ADORA2A (0.75) | ADORA2AADORA1PI4K2API4KAPI4K2B | |
| SCHEMBL9836916 | 0.74 | TK1 (0.57) | ADORA3 |
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-0159264-B1 | ANTIVIRAL COMPOUNDS | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| US-4617304-A | VIRICIDE; HERPES | MERCK & CO., INC. (US) | 1986-10-14 | — | — | US | disclosed |
| EP-0159264-A2 | Antiviral compounds | MERCK & CO. INC. (US) | 1985-10-23 | — | — | EP | disclosed |