Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL15619550 | 0.89 | SMN1; SMN2 (0.53) | KEAP1SMN1; SMN2FFAR1HDAC3MAPK1 | |
| SCHEMBL2344852 | 0.85 | SMN1; SMN2 (0.47) | KEAP1SMN1; SMN2CES1HIF1ACYP2C19 | |
| SCHEMBL28044400 | 0.81 | CA12 (0.49) | FFAR1MAPK1PTPN1 | |
| SCHEMBL4138709 | 0.80 | CES1 (0.48) | KEAP1SMN1; SMN2FFAR1HDAC3MAPK1 | |
| SCHEMBL29633636 | 0.78 | TDP1 (0.44) | SMN1; SMN2CES1HIF1ACYP2C19FDPS | |
| SCHEMBL21328934 | 0.78 | ALDH1A1 (0.47) | KEAP1FFAR1CES1 | |
| SCHEMBL5750633 | 0.77 | KEAP1 (0.50) | KEAP1SMN1; SMN2FFAR1HDAC3MAPK1 | |
| SCHEMBL7432415 | 0.77 | SMN1; SMN2 (0.50) | KEAP1SMN1; SMN2FFAR1HDAC3MAPK1 | |
| SCHEMBL19224281 | 0.76 | SLC6A2 (0.50) | SMN1; SMN2CES1HIF1ACYP2C19FDPS | |
| SCHEMBL26748568 | 0.75 | TAAR1 (0.41) | SMN1; SMN2CES1HIF1ACYP2C19FDPS |
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 |
|---|---|---|---|---|---|---|---|
| CN-102417480-B | As the Spirocyclic nitriles of proteinase inhibitor | Sanofi-Aventis S. P. A. (FR) | 2015-08-26 | — | — | CN | disclosed |