Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6672732 | 0.81 | CHEK2 (0.43) | ECE1HSP90AA1PDPK1ADORA2AABL1 | |
| SCHEMBL6644717 | 0.78 | SMN1; SMN2 (0.43) | ADORA2ARAB9AHPGDADORA3ADORA1 | |
| SCHEMBL6645794 | 0.71 | KDM4E (0.47) | HSP90AA1RAB9AADORA3NPC1ALDH1A1 | |
| SCHEMBL6643741 | 0.71 | KMT2A (0.50) | HPGDADORA3NPC1ALDH1A1 | |
| SCHEMBL2547481 | 0.68 | HSP90AA1 (0.53) | HSP90AA1PDPK1ADORA2ASYKHDAC2 | |
| SCHEMBL16815742 | 0.68 | HSP90AA1 (0.41) | HSP90AA1PDPK1ADORA2ASYKRAB9A | |
| SCHEMBL6649260 | 0.67 | CYP2A6 (0.41) | HSP90AA1HDAC1RAB9AHPGDNPC1 | |
| SCHEMBL6648627 | 0.67 | KMO (0.47) | RAB9AHPGDNPC1ALDH1A1 | |
| SCHEMBL13729880 | 0.67 | CYP2E1 (0.39) | SYKCYP2A6 | |
| Valine SCHEMBL7323075 | 0.66 | HSP90AA1 (0.38) | ECE1HSP90AA1PDPK1ADORA2AHDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |