Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 19/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 19/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 19/20 | 0.61 |
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL10975738 | 0.99 | ADRA2A (0.60) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| Water SCHEMBL10975739 | 0.99 | ADRA2A (0.60) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| SCHEMBL10981884 | 0.87 | ADRA2A (0.56) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| Water SCHEMBL10976163 | 0.86 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| Hydrochloric Acid SCHEMBL9654915 | 0.78 | NISCH (0.77) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| SCHEMBL10978713 | 0.77 | NISCH (0.67) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| Hydrochloric Acid SCHEMBL10982604 | 0.75 | NISCH (0.64) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| SCHEMBL3961590 | 0.72 | NISCH (0.75) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| Lofexidine SCHEMBL22616174 | 0.70 | ADRA2A (0.85) | ADRA2AADRA2BADRA2CNISCHHTR1A | |
| SCHEMBL10979379 | 0.70 | ADRA2A (0.54) | ADRA2AADRA2BADRA2CNISCHHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4523020-A | USEFUL FOR TREATMENT OF DIARRHEA AND AS ANALGESICS | G. D. SEARLE & CO. (US) | 1985-06-11 | — | — | US | claimed |