Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6118969 | 0.78 | POLB (0.38) | HCAR2 | |
| SCHEMBL21724409 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL14834576 | 0.73 | CYP19A1 (0.42) | HCAR2MKNK1MKNK2 | |
| Formic Acid SCHEMBL28048151 | 0.72 | HCAR2 (0.40) | HCAR2CHRNB2CHRNA4MKNK1MKNK2 | |
| SCHEMBL23539612 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL28151623 | 0.71 | HCAR2 (0.50) | HCAR2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL8444722 | 0.71 | HCAR2 (0.38) | HCAR2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL8447350 | 0.71 | HCAR2 (0.38) | HCAR2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL169020 | 0.71 | ACP3 (0.43) | — | |
| SCHEMBL9258016 | 0.70 | HCAR2 (0.40) | HCAR2CHRNB2CHRNA4CHRNB4CHRNA3 |
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-2326622-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010014611-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-02-04 | — | — | WO | disclosed |