Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | C1R | P00736 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10422110 | 0.73 | AKR1B1 (0.34) | AKR1B1 | |
| SCHEMBL8050101 | 0.72 | HDAC3 (0.35) | BACE1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1359392 | 0.71 | BACE1 (0.37) | BACE1 | |
| SCHEMBL1894942 | 0.71 | CYP1A2 (0.32) | CYP1A2ALDH1A1 | |
| SCHEMBL1359399 | 0.71 | PSMB8 (0.41) | CYP1A2 | |
| SCHEMBL558492 | 0.70 | PARP1 (0.36) | AKR1B1NR1H2NR1H3HSD11B1AXL | |
| SCHEMBL4337983 | 0.68 | LIMK1 (0.36) | BACE1CYP1A2CLK4ALDH1A1L3MBTL1 | |
| SCHEMBL10840507 | 0.68 | ALDH1A1 (0.41) | BACE1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12829698 | 0.67 | HDAC3 (0.41) | BACE1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24820021 | 0.67 | HDAC3 (0.44) | BACE1HDAC3HDAC4HDAC1HDAC7 |
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-2195328-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Cytokinetics, Incorporated (US) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009023193-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2009-02-19 | — | — | WO | disclosed |