Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3100033 | 0.98 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL6008849 | 0.84 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL1746181 | 0.81 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL8510441 | 0.81 | ADRA2C (0.45) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL2892626 | 0.80 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL15624590 | 0.80 | — | — | |
| SCHEMBL9669288 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9668757 | 0.78 | SLC6A4 (0.46) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL10330624 | 0.78 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3HTR2AHTR2B | |
| SCHEMBL23710060 | 0.78 | — | — |
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-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |