Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 15/20 | 1.00 |
| ▸ | NOS2 | P35228 | 14/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 13/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 11/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL231999 | 1.00 | SLC6A4 (1.00) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| Oxalic Acid SCHEMBL6491911 | 0.94 | NOS2 (1.00) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL5652047 | 0.91 | NOS2 (0.84) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6500993 | 0.91 | NOS2 (0.83) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6488890 | 0.90 | NOS2 (0.82) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL6493276 | 0.90 | NOS2 (0.82) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6489816 | 0.89 | NOS2 (0.80) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6491498 | 0.89 | SLC6A4 (0.80) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6500286 | 0.87 | NOS2 (0.76) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6490961 | 0.86 | SLC6A4 (0.76) | SLC6A4NOS2SLC6A2CYP2D6KCNH2 |
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-106255689-A | Heteroaryl syk inhibitors | 勃林格殷格翰国际有限公司 | 2016-12-21 | — | — | CN | disclosed |