Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 12/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.63 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.63 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL1491483 | 1.00 | PNMT (0.63) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL6391507 | 1.00 | PNMT (0.63) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1491480 | 1.00 | PNMT (0.63) | PNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL8488582 | 0.99 | PNMT (0.62) | PNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL28292450 | 0.99 | PNMT (0.62) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL15623045 | 0.94 | PNMT (0.56) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL6921990 | 0.84 | PNMT (0.61) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1202143 | 0.84 | PNMT (0.61) | PNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL6398473 | 0.83 | PNMT (0.60) | PNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL2081344 | 0.83 | PNMT (0.60) | PNMTADRA2AADRA2BADRA2C |
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-0018104-B1 | TETRAHYDROISOQUINOLINES, THEIR PRODUCTION AND THE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE IN THE PREVENTION OR TREATMENT OF HYPERTENSION | Takeda Chemical Industries, Ltd. (JP) | 1983-05-25 | — | — | EP | disclosed |
| EP-0018104-A2 | Tetrahydroisoquinolines, their production and the compounds and pharmaceutical compositions containing them for use in the prevention or treatment of hypertension | Takeda Chemical Industries, Ltd. (JP) | 1980-10-29 | — | — | EP | disclosed |