Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | COL1A1 | P02452 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4103161 | 0.99 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| SCHEMBL4768219 | 0.99 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| SCHEMBL4770095 | 0.99 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| SCHEMBL4770659 | 0.99 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| SCHEMBL4771808 | 0.99 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| Hydrochloric Acid SCHEMBL4098456 | 0.98 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| Hydrochloric Acid SCHEMBL4097271 | 0.98 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| Hydrochloric Acid SCHEMBL4108502 | 0.98 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| Hydrochloric Acid SCHEMBL4103213 | 0.98 | ACHE (0.41) | ACHEPDE4AGPR84P2RX7BCHE | |
| SCHEMBL4764653 | 0.92 | ACHE (0.44) | ACHEPDE4AGPR84P2RX7BCHE |
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 |