Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31011294 | 0.77 | ALDH1A1 (0.49) | KDM4EALDH1A1MAPTCYP2D6MEN1 | |
| SCHEMBL17167354 | 0.75 | MAOA (0.61) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL5427416 | 0.75 | KDM4E (0.51) | KDM4EALDH1A1MAPTACHECYP2D6 | |
| SCHEMBL11747031 | 0.75 | KDM4E (0.41) | KDM4EALDH1A1MAPTACHEADRA2A | |
| SCHEMBL11746819 | 0.74 | KDM4E (0.38) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL11717468 | 0.72 | MAPK10 (0.52) | KDM4EALDH1A1MAPTCYP2D6DRD1 | |
| SCHEMBL28739461 | 0.72 | MAOA (0.58) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL625670 | 0.72 | MAOA (0.58) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL1148346 | 0.69 | MAOA (1.00) | MAOAKDM4EALDH1A1MAPTGAA | |
| SCHEMBL23640382 | 0.69 | KDM4E (0.42) | KDM4EACHEADRA2AADRA2BADRA2C |
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 |