Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27850416 | 0.78 | HSP90AA1 (0.43) | ADORA2AADORA1HSP90AA1HTTRECQL | |
| SCHEMBL27985802 | 0.78 | PIK3CD (0.35) | ADORA2AADORA1HSP90AA1HTTRECQL | |
| Hydrochloric Acid SCHEMBL1367779 | 0.77 | HSP90AA1 (0.41) | ADORA2AADORA1HSP90AA1HTTRECQL | |
| SCHEMBL27985752 | 0.75 | ADORA2A (0.44) | ADORA2AADORA1HSP90AA1ADORA2BPIK3CD | |
| SCHEMBL27985443 | 0.74 | KDM4E (0.46) | ADORA2AADORA1HSP90AA1CYP2A6HTT | |
| SCHEMBL28791336 | 0.73 | ADORA2A (0.48) | ADORA2AADORA1HSP90AA1CYP2A6ADORA2B | |
| SCHEMBL29791140 | 0.73 | CYP2A6 (0.50) | ADORA2AADORA1HSP90AA1CYP2A6HTT | |
| SCHEMBL902694 | 0.73 | CYP2A6 (0.50) | ADORA2AADORA1HSP90AA1CYP2A6HTT | |
| SCHEMBL1027238 | 0.71 | CYP2A6 (0.48) | ADORA2AADORA1HSP90AA1CYP2A6HTT | |
| SCHEMBL27985753 | 0.71 | DHFR (0.33) | HTTRECQLPIK3CDPIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102307869-B | Aminopyrazine derivative and medicine | NIPPON SHINYAKU CO.,LTD. (JP) | 2014-10-22 | — | — | CN | claimed |
| CN-102307869-B | Aminopyrazine derivative and medicine | NIPPON SHINYAKU CO.,LTD. (JP) | 2014-10-22 | — | — | CN | disclosed |