Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28808611 | 0.82 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL4573283 | 0.79 | — | — | |
| SCHEMBL6976608 | 0.77 | HTR2A (0.44) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL6979725 | 0.77 | HTR2A (0.44) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL28210689 | 0.76 | HTR2A (0.40) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL271860 | 0.75 | — | — | |
| SCHEMBL15624590 | 0.75 | — | — | |
| SCHEMBL22079008 | 0.75 | — | — | |
| SCHEMBL272144 | 0.75 | — | — | |
| SCHEMBL271861 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101983191-A | Oxim derivatives as hsp90 inhibitors | TAKEDA PHARMACEUTICAL | 2011-03-02 | — | — | CN | disclosed |