Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 7/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24319043 | 0.81 | BMPR1B (0.44) | HRH3CHEK1ACHELRRK2 | |
| SCHEMBL18615838 | 0.74 | MAP4K4 (0.51) | — | |
| SCHEMBL2561425 | 0.73 | MAP4K4 (0.51) | ALDH1A1 | |
| SCHEMBL14276837 | 0.73 | MAP4K4 (0.49) | — | |
| SCHEMBL29955261 | 0.73 | MAP4K4 (0.49) | — | |
| SCHEMBL6057433 | 0.73 | HRH3 (0.69) | HRH3HRH4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL18617171 | 0.72 | AXL (0.49) | LRRK2 | |
| SCHEMBL18615399 | 0.72 | MERTK (0.43) | LRRK2 | |
| SCHEMBL29954696 | 0.71 | ERN1 (0.51) | — | |
| SCHEMBL16343630 | 0.70 | CHEK1 (0.59) | CHEK1ACHE |
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-2017039331-A1 | HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS | DONG-A SOCIO HOLDINGS CO., LTD. (KR) | 2017-03-09 | — | — | WO | disclosed |