Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | KDM4B | O94953 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6649178 | 0.81 | ECE1 (0.38) | CHEK2HSP90AA1MYCECE1ADORA2A | |
| SCHEMBL9081101 | 0.80 | ADORA3 (0.43) | KDM4BKDM5CKDM5B | |
| SCHEMBL6646535 | 0.76 | AURKA (0.48) | CHEK2ADORA2ACYP3A4HPGD | |
| SCHEMBL13727555 | 0.75 | PARP1 (0.42) | CYP3A4 | |
| SCHEMBL30416558 | 0.74 | CHEK2 (0.43) | CHEK2MYCECE1ADORA2AABL1 | |
| SCHEMBL2547481 | 0.74 | HSP90AA1 (0.53) | HSP90AA1ADORA2ATGFBR1HDAC2HDAC3 | |
| SCHEMBL31122242 | 0.73 | HTR2B (0.51) | CHEK2HSP90AA1ECE1ADORA2AHDAC3 | |
| SCHEMBL29520114 | 0.73 | CHEK2 (0.44) | CHEK2ADORA2AHDAC1HDAC6ADORA1 | |
| SCHEMBL18113788 | 0.73 | CHEK2 (0.50) | CHEK2HSP90AA1MYCECE1ADORA2A | |
| SCHEMBL2592323 | 0.71 | CHEK2 (0.68) | CHEK2MYCABL1BCRTGFBR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012151567-A1 | PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2012-11-08 | — | — | WO | disclosed |
| EP-1441734-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035076-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | disclosed |