Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | SHBG | P04278 | 4/20 | 0.35 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.35 |
| ▸ | BLM | P54132 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.35 |
| ▸ | SNCA | P37840 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 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 | |
|---|---|---|---|---|
| 11,12-Epoxynootkatone SCHEMBL30800377 | 1.00 | CYP2C19 (0.60) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL6857288 | 0.76 | CYP2C19 (0.78) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL16188788 | 0.76 | CYP2C19 (0.78) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL13588483 | 0.75 | CYP2C19 (0.33) | CYP2C19CYP19A1 | |
| Nootkatone SCHEMBL335639 | 0.75 | CYP2C19 (1.00) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| Nootkatone SCHEMBL110855 | 0.75 | CYP2C19 (1.00) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| Nootkatone SCHEMBL10146951 | 0.75 | CYP2C19 (1.00) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| Nootkatone SCHEMBL3276192 | 0.75 | CYP2C19 (1.00) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| Nootkatone SCHEMBL309679 | 0.75 | CYP2C19 (1.00) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 | |
| Nootkatone SCHEMBL14137791 | 0.75 | CYP2C19 (1.00) | CYP2C19CYP19A1SMN1; SMN2ALDH1A1MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7629387-B2 | Compounds for pest control and methods for their use | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-12-08 | — | — | US | disclosed |
| US-7629387-B2 | Compounds for pest control and methods for their use | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-12-08 | — | — | US | disclosed |
| EP-1355895-B1 | COMPOUNDS FOR PEST CONTROL | US GOV HEALTH & HUMAN SERV (US) | 2008-07-23 | — | — | EP | disclosed |
| US-7230033-B2 | Pest control compositions and methods for their use | United States of America as represented by the Secretary of the Department of Health and Human Services, Center for Disease Control and Prevention (US) | 2007-06-12 | — | — | US | disclosed |
| US-7230033-B2 | Pest control compositions and methods for their use | United States of America as represented by the Secretary of the Department of Health and Human Services, Center for Disease Control and Prevention (US) | 2007-06-12 | — | — | US | disclosed |