Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PER2 | O15055 | 1/20 | 0.31 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.31 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14475696 | 0.85 | ADRB3 (0.34) | CYP1A2CYP2D6HIF1AIDO1GRIN2D | |
| SCHEMBL28045902 | 0.83 | TSHR (0.39) | CYP1A2CYP2D6HIF1AIDO1 | |
| SCHEMBL799713 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL2744914 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL7694718 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL2745122 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP2D6HIF1A | |
| SCHEMBL18911062 | 0.77 | LMNA (0.50) | CYP1A2CYP2D6HIF1AHTTCA1 | |
| SCHEMBL14045344 | 0.73 | MEN1 (0.44) | ALOX5 | |
| SCHEMBL17158431 | 0.73 | AOC3 (0.43) | IDO1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL9721750 | 0.73 | KDM4E (0.46) | HTTIDO1 |
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-8178579-B2 | Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-05-15 | — | — | US | disclosed |