Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | EP300 | Q09472 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | COL1A1 | P02452 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4098383 | 0.99 | ACHE (0.43) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| SCHEMBL4770459 | 0.87 | ACHE (0.45) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| SCHEMBL4790652 | 0.87 | ACHE (0.46) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| SCHEMBL4766814 | 0.87 | ACHE (0.42) | ACHEGPR84MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL4116829 | 0.86 | ACHE (0.46) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL4098430 | 0.86 | ACHE (0.45) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL4103791 | 0.86 | ACHE (0.42) | ACHEGPR84MAPTKMT2A | |
| SCHEMBL4764653 | 0.85 | ACHE (0.44) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL4103100 | 0.85 | ACHE (0.44) | ACHEPDE4AGPR84KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL4109102 | 0.84 | ACHE (0.43) | ACHEPDE4AGPR84KDM4ECYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |