Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 14/20 | 0.47 |
| ▸ | CTSA | P10619 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4011275 | 0.91 | CTSA (0.44) | ABL1CTSAHPGDS | |
| SCHEMBL2703783 | 0.86 | ABL1 (0.49) | ABL1CTSACNR1HPGDSKDM1A | |
| SCHEMBL2701884 | 0.86 | ABL1 (0.49) | ABL1CTSACNR1HPGDSKDM1A | |
| SCHEMBL4012466 | 0.86 | ABL1 (0.40) | ABL1CNR1 | |
| SCHEMBL4012349 | 0.86 | ABL1 (0.40) | ABL1CNR1 | |
| SCHEMBL4012642 | 0.84 | ABL1 (0.39) | ABL1CNR1 | |
| SCHEMBL4016284 | 0.84 | ABL1 (0.39) | ABL1CNR1 | |
| SCHEMBL4012343 | 0.83 | CNR2 (0.44) | ABL1CTSACNR1KCNH2 | |
| SCHEMBL4013441 | 0.81 | CCR1 (0.40) | ABL1CTSA | |
| SCHEMBL2701916 | 0.78 | CTSA (0.45) | ABL1CTSAHPGDS |
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-2074096-A1 | 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008040651-A1 | 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-04-10 | — | — | WO | disclosed |