Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | VCP | P55072 | 2/20 | 0.39 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL13087449 | 0.85 | CCNT1 (0.41) | SLC22A12VCPMAP4K1DHFRCYP11B2 | |
| SCHEMBL2486778 | 0.85 | GPR119 (0.45) | SLC22A12 | |
| SCHEMBL2426906 | 0.84 | CLK4 (0.42) | SLC22A12VCPNEK1GRM5CYP11B2 | |
| SCHEMBL13090022 | 0.84 | VCP (0.38) | SLC22A12VCPNEK1USP30MAP4K1 | |
| SCHEMBL3630020 | 0.81 | GPR6 (0.39) | SLC22A12NEK1USP30MAP4K1PDE4D | |
| SCHEMBL3628367 | 0.81 | ROCK2 (0.47) | SLC22A12NEK1MAP4K1ROCK2CYP1A2 | |
| SCHEMBL12327914 | 0.72 | CYP11B1 (0.48) | SLC22A12NEK1GRM5CYP11B2CYP17A1 | |
| SCHEMBL2424122 | 0.70 | IKBKB (0.45) | VCPNEK1PDE4DGRM5CYP11B2 | |
| SCHEMBL2492757 | 0.70 | GPR119 (0.48) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL2431769 | 0.69 | CHRNB2 (0.51) | SLC22A12NEK1GRM5CYP11B2CYP17A1 |
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-2010038465-A1 | 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF | 旭化成ファーマ株式会社 (JP) | 2010-04-08 | — | — | WO | disclosed |