Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 13/20 | 0.54 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28151149 | 0.91 | HRH4 (0.64) | CYP2D6CYP2C19HRH4TLR8AURKA | |
| SCHEMBL28043930 | 0.87 | HRH4 (0.55) | CYP2D6CYP2C19HRH4TLR8AURKA | |
| SCHEMBL28152094 | 0.85 | HRH4 (0.54) | CYP2D6CYP2C19HRH4TLR8AURKA | |
| SCHEMBL28043727 | 0.84 | HRH4 (0.56) | HRH4TLR8AURKAPDPK1TGFBR1 | |
| SCHEMBL28151063 | 0.83 | HRH4 (0.56) | CYP2D6CYP2C19HRH4TLR8AURKA | |
| SCHEMBL28043772 | 0.83 | AURKA (0.54) | HRH4TLR8AURKAPDPK1TGFBR1 | |
| SCHEMBL28267199 | 0.83 | TLR8 (0.65) | HRH4TLR8AURKAPDPK1TGFBR1 | |
| SCHEMBL28151084 | 0.83 | HRH4 (0.55) | HRH4TLR8AURKAPDPK1TGFBR1 | |
| SCHEMBL28151142 | 0.82 | HRH4 (0.51) | HRH4TLR8CYP1A2GAAMAPK1 | |
| SCHEMBL28043961 | 0.82 | HRH4 (0.54) | HRH4TLR8AURKAAURKB |
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-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |