Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 7/20 | 0.42 |
| ▸ | NOS3 | P29474 | 6/20 | 0.42 |
| ▸ | NOS2 | P35228 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1091936 | 0.79 | DHFR (0.47) | TLR8TLR7NOS2CYP2D6ALDH1A1 | |
| SCHEMBL17545030 | 0.78 | DHFR (0.54) | TLR8TLR7CYP2D6DHFR | |
| SCHEMBL27544017 | 0.71 | HEXA (0.49) | NOS2DHFR | |
| SCHEMBL4454937 | 0.70 | TLR8 (0.54) | TLR8TLR7CYP2D6ALDH1A1MAPT | |
| SCHEMBL4375162 | 0.69 | DHFR (0.49) | TLR8TLR7CYP2D6DHFR | |
| SCHEMBL8903271 | 0.68 | CYP2D6 (0.78) | TLR8TLR7CYP2D6DHFR | |
| SCHEMBL5718812 | 0.67 | NOS3 (0.37) | TLR8TLR7NOS1NOS3NOS2 | |
| SCHEMBL1090279 | 0.67 | ALDH1A1 (0.39) | CYP2D6ALDH1A1MAPTKMT2ADHFR | |
| SCHEMBL1089764 | 0.67 | CDK1 (0.37) | TLR7NOS1NOS3NOS2CYP2D6 | |
| SCHEMBL3781545 | 0.67 | PKM (0.42) | DHFR |
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 |
|---|---|---|---|---|---|---|---|
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |