Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.59 |
| ▸ | PNMT | P11086 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1822278 | 0.86 | TAAR1 (0.62) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL6571988 | 0.84 | TAAR1 (0.67) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL3788445 | 0.83 | TAAR1 (0.72) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| Hydrochloric Acid SCHEMBL28508673 | 0.81 | TAAR1 (0.69) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL6679839 | 0.80 | TAAR1 (0.56) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL2025892 | 0.80 | TAAR1 (0.75) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL31504500 | 0.80 | TAAR1 (0.75) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL1804677 | 0.78 | TAAR1 (0.54) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL1804680 | 0.78 | TAAR1 (0.54) | TAAR1PNMTIDO1KCNH2SLC6A2 | |
| SCHEMBL8971799 | 0.78 | TAAR1 (0.54) | TAAR1PNMTIDO1KCNH2SLC6A2 |
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 |