Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 6/20 | 0.46 |
| ▸ | HTR5A | P47898 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16518134 | 0.86 | PARP1 (0.41) | PNMTHTR5APARP1HTR6HTR2A | |
| SCHEMBL16518141 | 0.85 | PNMT (0.46) | PNMTHTR5AADRA2AADRA2BADRA2C | |
| SCHEMBL16518148 | 0.84 | PNMT (0.45) | PNMTADRA2AADRA2BADRA2CHTR2A | |
| SCHEMBL16518161 | 0.82 | PARP1 (0.39) | PARP1HTR6HTR2AHTR2CHTR2B | |
| SCHEMBL16518188 | 0.80 | PNMT (0.41) | PNMTHTR5AADRA2AADRA2BADRA2C | |
| SCHEMBL16518147 | 0.79 | PNMT (0.40) | PNMTHTR5AADRA2AADRA2BADRA2C | |
| SCHEMBL16517992 | 0.78 | PNMT (0.49) | PNMTADRA2AADRA2BADRA2CHTR6 | |
| SCHEMBL16518127 | 0.77 | PRCP (0.55) | PNMTADRA2AADRA2BADRA2CPARP1 | |
| SCHEMBL16518150 | 0.75 | PNMT (0.50) | PNMTADRA2AADRA2BADRA2CMAPK14 | |
| SCHEMBL16518184 | 0.75 | HTR5A (0.46) | PNMTHTR5AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2671869-B1 | TETRAHYDROISOQUINOLINE DERIVATIVE | ASTELLAS PHARMA INC (JP) | 2015-11-04 | — | — | EP | disclosed |
| US-8962612-B2 | Tetrahydroisoquinoline derivative | ASTELLAS PHARMA INC. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8962612-B2 | Tetrahydroisoquinoline derivative | ASTELLAS PHARMA INC. (JP) | 2015-02-24 | — | — | US | disclosed |