Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A3 | P48764 | 15/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7951400 | 0.98 | SLC9A3 (0.47) | SLC9A3CYP2D6ADRA2AADRA2BADRA2C | |
| SCHEMBL9813868 | 0.98 | SLC9A3 (0.47) | SLC9A3CYP2D6ADRA2AADRA2BADRA2C | |
| SCHEMBL9772330 | 0.98 | SLC9A3 (0.47) | SLC9A3CYP2D6ADRA2AADRA2BADRA2C | |
| SCHEMBL9772314 | 0.88 | ADRA2A (0.41) | SLC9A3CYP2D6ADRA2AADRA2BADRA2C | |
| SCHEMBL7951592 | 0.88 | ADRA2A (0.41) | SLC9A3CYP2D6ADRA2AADRA2BADRA2C | |
| SCHEMBL4863623 | 0.83 | PDPK1 (0.54) | — | |
| SCHEMBL4863616 | 0.83 | PDPK1 (0.54) | — | |
| SCHEMBL9748975 | 0.83 | PDPK1 (0.54) | — | |
| SCHEMBL14367944 | 0.83 | PDPK1 (0.50) | — | |
| SCHEMBL9701818 | 0.83 | PDPK1 (0.50) | — |
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-6271395-B1 | E.G.,(.+-.)-N-(2,3-DIHYDRO-2-(1-PYRROLIDINYL)-1H-INDEN-1-Y1) -2 ,4-DINITRO-N-METHYL-BENZENE-ACETAMIDE; STRONG AFFINITY FOR OPTICAL RECEPTORS, CENTRAL ANALGESIC, DIURETIC, ANTIARRYTHMIC, HYPOTENSIVE AND ANTIISCHEMIC ACTIVITY. | HOECHST MARION ROUSSOL (FR) | 2001-08-07 | — | — | US | disclosed |