Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL4768256 | 1.00 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4772040 | 1.00 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4766835 | 1.00 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4097019 | 0.99 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4103259 | 0.99 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4107692 | 0.99 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4097927 | 0.99 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4764632 | 0.99 | ACHE (0.40) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4097258 | 0.98 | ACHE (0.39) | ACHEMAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4770659 | 0.88 | ACHE (0.41) | ACHEKDM4ECNR2P2RX7BCHE |
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 |