Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 12/20 | 0.38 |
| ▸ | ACHE | P22303 | 12/20 | 0.38 |
| ▸ | PREP | P48147 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | EP300 | Q09472 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
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 SCHEMBL4107062 | 0.99 | BCHE (0.38) | BCHEACHEPREPALDH1A1CYP2D6 | |
| SCHEMBL4762842 | 0.83 | BCHE (0.40) | BCHEACHEPREPALDH1A1CYP2D6 | |
| SCHEMBL4828047 | 0.82 | SCN1A (0.35) | BCHEACHEPREPALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4109295 | 0.82 | P2RX7 (0.40) | BCHEACHEPREPALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4104222 | 0.82 | SCN1A (0.34) | BCHEACHEPREPALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4108183 | 0.82 | SCN1A (0.34) | BCHEACHEPREPALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4113646 | 0.81 | BCHE (0.47) | BCHEACHEPREPALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4101882 | 0.80 | BCHE (0.38) | BCHEACHEPREPALDH1A1CYP2D6 | |
| SCHEMBL4766595 | 0.79 | ACHE (0.48) | ACHEALDH1A1CYP2D6MAPTLMNA | |
| Hydrochloric Acid SCHEMBL4103163 | 0.78 | ACHE (0.47) | ACHEALDH1A1CYP2D6MAPTLMNA |
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 |