Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.39 |
| ▸ | CHRNG | P07510 | 2/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CHRND | Q07001 | 2/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4399935 | 0.86 | CYP2B6 (0.59) | CYP2B6SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL4401492 | 0.83 | NPC1 (0.48) | CYP2C19SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL4393402 | 0.78 | PGR (0.46) | HRH1KCNH2SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL6059596 | 0.73 | SLC6A2 (0.55) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| Hydrochloric Acid SCHEMBL30450072 | 0.71 | SLC6A2 (0.56) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL29486913 | 0.71 | CYP2B6 (1.00) | CYP2B6SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2955633 | 0.71 | CYP2B6 (1.00) | CYP2B6SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2955630 | 0.71 | CYP2B6 (1.00) | CYP2B6SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL1226857 | 0.71 | CYP2B6 (1.00) | CYP2B6SLC6A2CHRNA1CHRNGCHRNB1 | |
| SCHEMBL4393537 | 0.68 | CYP2B6 (0.63) | CYP2B6SLC6A2CHRNA1CHRNGCHRNB1 |
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-1993525-A1 | THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN | Sosei R&D Ltd. (GB) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007102008-A1 | THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN | SOSEI R & D LTD. (GB) | 2007-09-13 | — | — | WO | disclosed |