Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 5/20 | 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 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRND | Q07001 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9667469 | 0.98 | SLC6A3 (0.38) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL9668821 | 0.81 | HSD11B1 (0.39) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL9668882 | 0.81 | NPC1 (0.32) | MEN1KMT2A | |
| SCHEMBL9669218 | 0.81 | SLC6A4 (0.47) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL9451466 | 0.79 | — | — | |
| SCHEMBL9796866 | 0.79 | ALDH1A1 (0.36) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL9796889 | 0.78 | GAA (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL9204134 | 0.78 | — | — | |
| SCHEMBL9667455 | 0.78 | MAOA (0.41) | MAOAMAOBCYP3A4MEN1KMT2A | |
| SCHEMBL9796709 | 0.76 | SLC6A2 (0.31) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0152229-B1 | A CLASS OF PESTICIDES COMPRISING 1,4-BIS-SUBSTITUTED-2,6,7-TRIOXABICYCLO(2.2.2)OCTANES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-04-22 | — | — | EP | claimed |
| EP-0152229-A2 | A class of pesticides comprising 1,4-bis-substituted-2,6,7-trioxabicyclo(2.2.2)octanes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1985-08-21 | — | — | EP | claimed |
| WO-1985003203-A1 | A NEW CLASS OF PESTICIDES COMPRISING 1,4-BIS-SUBSTITUTED-2,6,7-TRIOXABICYCLO AD2.2.2. BD OCTANES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1985-08-01 | — | — | WO | claimed |
| EP-0235979-B1 | PESTICIDAL FORMULATIONS | THE WELLCOME FOUNDATION LIMITED (GB) | 1989-05-31 | — | — | EP | disclosed |
| EP-0235979-A1 | Pesticidal formulations | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-09-09 | — | — | EP | disclosed |