Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 9/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13748062 | 0.92 | SLC6A9 (0.39) | SLC6A9KCNH2BDKRB1TLR9TLR8 | |
| SCHEMBL13749042 | 0.91 | SLC6A9 (0.41) | SLC6A9KCNH2S1PR1PDK2 | |
| SCHEMBL13749140 | 0.91 | SLC6A9 (0.41) | SLC6A9KCNH2TLR9TLR8TLR7 | |
| SCHEMBL13748936 | 0.90 | SLC6A9 (0.40) | SLC6A9KCNH2 | |
| SCHEMBL13748067 | 0.89 | SLC6A9 (0.40) | SLC6A9KCNH2TLR9TLR8TLR7 | |
| SCHEMBL13748801 | 0.89 | SLC6A9 (0.41) | SLC6A9KCNH2PDK2 | |
| SCHEMBL13748784 | 0.88 | SLC6A9 (0.39) | SLC6A9KCNH2BDKRB1PDK2ENPP2 | |
| SCHEMBL13748980 | 0.88 | SLC6A9 (0.41) | SLC6A9KCNH2PDK2 | |
| SCHEMBL13749340 | 0.88 | SLC6A9 (0.39) | SLC6A9KCNH2S1PR1 | |
| SCHEMBL13749100 | 0.87 | SLC6A9 (0.42) | SLC6A9KCNH2PDK2ENPP2 |
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-2009100120-A2 | PYRIDINYL-SUBSTITUTED PIPERAZINYL OXOETHYL TETRAHYDROPYRAZOLOPYRIDINES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |