Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 9/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14302335 | 0.94 | ASIC3 (0.46) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| Hydrochloric Acid SCHEMBL17965626 | 0.93 | ASIC3 (0.45) | PNMTADRA2AADRA2BADRA2CHTR2C | |
| SCHEMBL28451134 | 0.87 | HTR1D (0.43) | HTR2CHTR7HTR6DRD2HTR1D | |
| SCHEMBL6979583 | 0.80 | PNMT (0.50) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL7443640 | 0.79 | DRD2 (0.44) | HTR2CHTR7HTR6DRD2HTR1D | |
| SCHEMBL5026108 | 0.79 | STS (0.64) | HTR2CHTR7HTR6DRD2HTR1D | |
| SCHEMBL4427945 | 0.79 | STS (0.59) | DRD2HTR1DDRD3 | |
| SCHEMBL29051886 | 0.78 | DRD2 (0.43) | HTR2CHTR7HTR6DRD2HTR1D | |
| Hydrochloric Acid SCHEMBL15422486 | 0.78 | PNMT (0.49) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL17921501 | 0.78 | PNMT (0.61) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |