Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 6/20 | 0.61 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.50 |
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.44 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.44 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.44 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.44 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.44 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.44 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.44 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30098006 | 0.86 | PNMT (0.52) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL31139061 | 0.86 | PNMT (0.52) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL29405467 | 0.86 | PNMT (0.52) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL29144312 | 0.86 | PNMT (0.52) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL3004226 | 0.86 | PNMT (0.52) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL18577020 | 0.86 | PNMT (0.52) | PNMTASIC3HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL31362955 | 0.84 | PNMT (0.50) | PNMTASIC3HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL2513806 | 0.84 | PNMT (0.50) | PNMTASIC3HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL7638137 | 0.84 | PNMT (0.50) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL29515916 | 0.81 | PNMT (0.53) | PNMTASIC3HTR2AHTR2CHTR2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106045908-B | A kind of bis- bromo- 1,2,3,4- tetrahydroisoquinolines of new compound 6,7- and preparation method thereof | 郑州轻工业学院 | 2018-09-28 | — | — | CN | disclosed |
| CN-106045908-A | Novel compound-6, 7-dibromo-1, 2, 3, 4-tetrahydroisoquinoline and preparation method thereof | 郑州轻工业学院 | 2016-10-26 | — | — | CN | disclosed |
| CN-106045908-A | Novel compound-6, 7-dibromo-1, 2, 3, 4-tetrahydroisoquinoline and preparation method thereof | 郑州轻工业学院 | 2016-10-26 | — | — | CN | disclosed |