Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 6/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | QDPR | P09417 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5584693 | 0.84 | HTR2C (0.54) | HTR2CTLR9TLR8TLR7QDPR | |
| SCHEMBL15247784 | 0.79 | SLC6A3 (0.43) | HTR2CESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13499937 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12806513 | 0.76 | SLC6A3 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13698222 | 0.75 | HTR3A (0.50) | HTR2CKCNH2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11933082 | 0.74 | ACMSD (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12228263 | 0.74 | SLC6A3 (0.36) | KCNH2ESR1ESR2SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL2344275 | 0.73 | HTR2C (0.41) | HTR2CTLR9TLR8TLR7HRH3 | |
| SCHEMBL10014180 | 0.73 | ESR2 (0.48) | ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17282329 | 0.71 | RORC (0.42) | HRH3KCNH2SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3165530-A1 | SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE | Qilu Pharmaceutical Co., Ltd (CN) | 2017-05-10 | — | — | EP | disclosed |