Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009956 | 0.90 | FFAR1 (0.46) | FFAR1FFAR4 | |
| SCHEMBL28803719 | 0.79 | KDM4E (0.45) | SMN1; SMN2CYP1A2 | |
| SCHEMBL3937280 | 0.75 | FFAR1 (0.45) | SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1 | |
| SCHEMBL6687222 | 0.74 | SMN1; SMN2 (0.73) | SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1 | |
| SCHEMBL3673389 | 0.74 | SMN1; SMN2 (0.73) | SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1 | |
| Hydrochloric Acid SCHEMBL7206845 | 0.72 | SMN1; SMN2 (0.71) | SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1 | |
| SCHEMBL27662881 | 0.71 | FAAH (0.46) | CYP1A2FFAR1TBXAS1FAAHCES1 | |
| SCHEMBL7326478 | 0.71 | FERMT2 (0.36) | — | |
| SCHEMBL26026404 | 0.71 | KDM4E (0.53) | CYP1A2CYP2D6 | |
| SCHEMBL1649008 | 0.70 | TBXAS1 (0.47) | SMN1; SMN2CYP1A2CYP2C19HDAC3MAPK1 |
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-2009007418-A1 | NOVEL BRONCHODILATING ISOQUINOLINE AMIDES | RESPIRATORIUS AB (SE) | 2009-01-15 | — | — | WO | disclosed |