Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | VRK1 | Q99986 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1746357 | 0.73 | — | — | |
| SCHEMBL30937277 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5077168 | 0.72 | NPSR1 (0.41) | KCNQ3KCNQ2HPGDSCYP2A6HDAC1 | |
| SCHEMBL3351392 | 0.69 | CYP2A6 (0.42) | CYP2A6 | |
| SCHEMBL20008475 | 0.69 | RAF1 (0.39) | — | |
| SCHEMBL12726034 | 0.69 | VRK1 (0.35) | VRK1KCNQ3KCNQ2ABL1CYP2A6 | |
| SCHEMBL676678 | 0.69 | HPGDS (0.56) | TDO2PTGS2PDE10AHPGDSHDAC1 | |
| Oxalic Acid SCHEMBL7669267 | 0.68 | NPSR1 (0.46) | KCNQ3KCNQ2HDAC1HDAC6PIK3CA | |
| Hydrochloric Acid SCHEMBL28477299 | 0.68 | CYP2A6 (0.41) | CYP2A6 | |
| SCHEMBL15025716 | 0.67 | HPGDS (0.50) | TDO2PTGS2PDE10AHPGDSCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |