Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3797439 | 0.92 | HDAC1 (0.60) | HDAC1HDAC6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3793050 | 0.85 | HTR2A (0.56) | HDAC1HDAC6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18586068 | 0.82 | GAA (0.51) | HDAC1HDAC6CYP1A2HTR2AHTR2C | |
| SCHEMBL1556025 | 0.82 | HDAC1 (0.60) | HDAC1HDAC6TYMS | |
| SCHEMBL16030871 | 0.81 | CYP1A2 (0.55) | HDAC1HDAC6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3085320 | 0.80 | GAA (0.70) | NFKB1GAAALDH1A1ALOX15TSHR | |
| SCHEMBL1431418 | 0.80 | GAA (0.51) | HDAC1HDAC6CYP1A2HTR2AHTR2C | |
| SCHEMBL24317184 | 0.79 | GAA (0.44) | HDAC1HDAC6GAAALDH1A1LMNA | |
| SCHEMBL23674994 | 0.78 | HDAC1 (0.53) | HDAC1HDAC6ALDH1A1 | |
| SCHEMBL30100741 | 0.78 | HDAC1 (0.53) | HDAC1HDAC6ALDH1A1 |
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-2010128152-A1 | FUSED HETEROCYCLIC C-GLYCOSIDES FOR THE TREATMENT OF DIABETES | NOVARTIS AG (CH) | 2010-11-11 | — | — | WO | disclosed |