Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.68 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 5/20 | 0.49 |
| ▸ | CHUK | O15111 | 4/20 | 0.49 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| Cinnamic Acid SCHEMBL8595083 | 1.00 | PDPK1 (0.68) | PDPK1KEAP1HDAC3TNKSHDAC4 | |
| Fumaric Acid SCHEMBL5238668 | 0.89 | PDPK1 (0.81) | PDPK1KEAP1IKBKBCHUKBACE1 | |
| Fumaric Acid SCHEMBL5238696 | 0.89 | PDPK1 (0.81) | PDPK1KEAP1IKBKBCHUKBACE1 | |
| SCHEMBL29567411 | 0.83 | PDPK1 (1.00) | PDPK1KEAP1HDAC3HDAC4HDAC1 | |
| SCHEMBL1651352 | 0.83 | PDPK1 (1.00) | PDPK1KEAP1HDAC3HDAC4HDAC1 | |
| Ammonia Solution, Strong SCHEMBL28335890 | 0.81 | PDPK1 (0.96) | PDPK1KEAP1HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL3796059 | 0.81 | PDPK1 (0.96) | PDPK1KEAP1HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL27785396 | 0.81 | PDPK1 (0.96) | PDPK1KEAP1HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL28321281 | 0.81 | PDPK1 (0.96) | PDPK1KEAP1HDAC3HDAC4HDAC1 | |
| SCHEMBL8593485 | 0.77 | PDPK1 (0.81) | PDPK1KEAP1HDAC3HDAC4HDAC1 |
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-1998055115-A1 | CARBOXAMIDES USEFUL AS 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1998-12-10 | — | — | WO | disclosed |