Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL19260079 | 0.76 | MAPT (0.47) | GAAMAPTBRD4TSHRHDAC1 | |
| SCHEMBL27489110 | 0.74 | CYP19A1 (0.46) | MAPTGABRA1GABRA5BRD4HDAC1 | |
| SCHEMBL20898996 | 0.73 | GABRA1 (0.35) | GABRA1GABRA5CYP1B1GRIN1GRIN2B | |
| SCHEMBL17076777 | 0.71 | MAPT (0.45) | MAPTGABRA1GABRA5CYP1B1GRIN1 | |
| SCHEMBL17489171 | 0.71 | PDE4B (0.48) | GAAMAPTBRD4TSHRHDAC1 | |
| SCHEMBL3433837 | 0.70 | GAA (0.58) | GAAMAPTTSHRHDAC1HDAC6 | |
| SCHEMBL16260559 | 0.70 | GAA (0.46) | GAAMAPTBRD4TSHRHDAC1 | |
| SCHEMBL17239506 | 0.69 | KDM4E (0.49) | MAPTGABRA1GABRA5TDP1CYP1A2 | |
| SCHEMBL28093165 | 0.69 | GAA (0.41) | GAAMAPTBRD4TSHRHDAC1 | |
| SCHEMBL20183010 | 0.69 | GAA (0.41) | GAAMAPTBRD4TSHRHDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143207-B | Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors | 达特神经科学(开曼)有限公司 | 2018-04-24 | — | — | CN | claimed |
| CN-108299400-A | Substituted pyridine as PDE4 inhibitor and substituted pyrazine compound | 达特神经科学(开曼)有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-105143207-B | Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors | 达特神经科学(开曼)有限公司 | 2018-04-24 | — | — | CN | disclosed |