Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4325600 | 1.00 | HDAC6 (0.32) | HDAC6ALOX15TSHRCTSK | |
| SCHEMBL4325521 | 0.85 | CTSK (0.31) | HDAC6CTSK | |
| SCHEMBL4325526 | 0.85 | CTSK (0.31) | HDAC6CTSK | |
| SCHEMBL4319826 | 0.80 | ALOX15 (0.32) | ALOX15TSHR | |
| SCHEMBL6254448 | 0.80 | HDAC6 (0.36) | HDAC6ALOX15TSHRCTSK | |
| SCHEMBL6912299 | 0.80 | HDAC6 (0.36) | HDAC6ALOX15TSHRCTSK | |
| SCHEMBL4534433 | 0.77 | CTSK (0.31) | CTSK | |
| SCHEMBL936275 | 0.77 | CTSK (0.31) | CTSK | |
| SCHEMBL934743 | 0.77 | CTSK (0.31) | CTSK | |
| SCHEMBL17630082 | 0.75 | — | — |
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-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | disclosed |
| EP-2102169-A1 | INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS | AstraZeneca AB (SE) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008076048-A1 | INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |