Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | ACACB | O00763 | 2/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.44 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12532591 | 0.85 | NQO1 (0.56) | HRH3NQO1ACACBSLC5A1SLC5A2 | |
| SCHEMBL10939495 | 0.82 | HRH3 (0.61) | HRH3S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL22589949 | 0.82 | HRH3 (0.49) | HRH3S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL21058263 | 0.81 | NQO1 (0.52) | NQO1SLC5A1SLC5A2LTA4HTSHR | |
| SCHEMBL8939115 | 0.81 | TAAR1 (0.53) | HRH3 | |
| SCHEMBL23091406 | 0.80 | HRH3 (0.51) | HRH3S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL13990376 | 0.80 | S1PR1 (0.51) | NQO1TSHRTDP1S1PR4S1PR1 | |
| SCHEMBL28616323 | 0.80 | NQO1 (0.74) | NQO1ACACBSLC5A1SLC5A2LTA4H | |
| SCHEMBL11149813 | 0.78 | HRH3 (0.68) | HRH3LTA4H | |
| SCHEMBL8995493 | 0.78 | LPL (0.48) | HRH3S1PR4S1PR1S1PR3S1PR5 |
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-0004835-A1 | Ethanolamine compounds, processes for their preparation, pharmaceutical preparations containing them and their medicinal use | Aktiebolaget DRACO (SE) | 1979-10-17 | — | — | EP | disclosed |