Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | ULK1 | O75385 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.40 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28791336 | 0.81 | ADORA2A (0.48) | ADORA2AADORA1CDK5CDK5R1CYP2A6 | |
| SCHEMBL27985752 | 0.81 | ADORA2A (0.44) | KDM4EADORA2AADORA1PRKCEDHFR | |
| SCHEMBL27850416 | 0.81 | HSP90AA1 (0.43) | KDM4EALOX15L3MBTL1ADORA2AADORA1 | |
| SCHEMBL27985753 | 0.79 | DHFR (0.33) | KDM4EDHFRHTTMETAP2 | |
| Hydrochloric Acid SCHEMBL1367779 | 0.79 | HSP90AA1 (0.41) | KDM4EALOX15L3MBTL1ADORA2AADORA1 | |
| SCHEMBL27985373 | 0.75 | DHFR (0.37) | KDM4EADORA2AADORA1DHFRHSP90AA1 | |
| SCHEMBL28814482 | 0.74 | ADORA2A (0.47) | KDM4EADORA2AADORA1CYP2A6DHFR | |
| SCHEMBL27985802 | 0.74 | PIK3CD (0.35) | KDM4EADORA2AADORA1DHFRHSP90AA1 | |
| SCHEMBL27831916 | 0.73 | PIM1 (0.36) | KDM4EADORA2ADHFRMAPK1 | |
| SCHEMBL5197687 | 0.73 | KDM4E (0.44) | KDM4EALOX15L3MBTL1ADORA2AADORA1 |
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 |