Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B | P18089 | 2/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL23047567 | 0.83 | ADRA2B (0.42) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL11102215 | 0.78 | ADRA2B (0.57) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL9492008 | 0.78 | HTR2A (0.57) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL28078110 | 0.78 | ADRA2B (0.56) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| Benzphetamine SCHEMBL19285634 | 0.77 | ADRA2B (1.00) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| Benzphetamine SCHEMBL49120 | 0.77 | ADRA2B (1.00) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| Benzphetamine SCHEMBL678807 | 0.77 | ADRA2B (1.00) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL15003030 | 0.77 | ADRA2B (0.71) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL19288842 | 0.76 | ADRA2B (0.39) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| Benzphetamine SCHEMBL260091 | 0.76 | ADRA2B (0.96) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252482-A2 | 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-13 | — | — | EP | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |