Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | RORA | P35398 | 1/20 | 0.53 |
| ▸ | RORC | P51449 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047586 | 0.88 | HDAC1 (1.00) | HDAC1TSHRBRD4HDAC3HDAC4 | |
| SCHEMBL5020763 | 0.83 | HDAC1 (0.82) | HDAC1TSHRBRD4 | |
| SCHEMBL5020775 | 0.82 | HDAC1 (0.78) | HDAC1TSHR | |
| SCHEMBL5020749 | 0.81 | HDAC1 (0.80) | HDAC1ALDH1A1HTT | |
| SCHEMBL5020626 | 0.80 | HDAC1 (1.00) | HDAC1TSHR | |
| SCHEMBL14629549 | 0.80 | HDAC1 (0.63) | HDAC1TSHRPGRRORARORC | |
| SCHEMBL5020753 | 0.78 | HDAC1 (0.78) | HDAC1PGRALDH1A1HDAC3HDAC4 | |
| SCHEMBL3261087 | 0.77 | TSHR (0.71) | HDAC1TSHRPGRRORARORC | |
| SCHEMBL16785737 | 0.77 | TSHR (0.67) | HDAC1TSHRPGRRORARORC | |
| SCHEMBL812673 | 0.76 | TSHR (0.74) | HDAC1TSHRPGRRORARORC |
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 |
|---|---|---|---|---|---|---|---|
| US-RE43343-E1 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-05-01 | — | — | US | disclosed |