Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL17224012 | 0.78 | SHBG (0.32) | — | |
| SCHEMBL9998401 | 0.76 | FDPS (0.30) | CES2 | |
| SCHEMBL11460960 | 0.73 | CES2 (0.31) | CES2 | |
| SCHEMBL29169850 | 0.73 | CHRM2 (0.35) | ALDH1A1CCR2 | |
| SCHEMBL27555136 | 0.71 | CYP2D6 (0.33) | ALDH1A1CCR2 | |
| SCHEMBL15106032 | 0.71 | CES2 (0.38) | ALDH1A1CES2 | |
| SCHEMBL28052591 | 0.70 | CHRM2 (0.33) | ALDH1A1 | |
| SCHEMBL30304035 | 0.69 | CES2 (0.39) | ALDH1A1CES2 | |
| SCHEMBL5193439 | 0.68 | CNR1 (0.36) | CCR2 | |
| SCHEMBL2842560 | 0.68 | MEN1 (0.34) | CES2CCR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015168614-A2 | POLYMER COMPOSITIONS OF HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2015-11-05 | — | — | WO | disclosed |