Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.37 |
| ▸ | CHRNG | P07510 | 2/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRND | Q07001 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10874985 | 0.78 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9788218 | 0.78 | SLC6A4 (0.35) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9667858 | 0.75 | SLC6A4 (0.40) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9667383 | 0.72 | SLC6A4 (0.38) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL10876682 | 0.70 | SLC6A4 (0.40) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9667420 | 0.69 | SLC6A4 (0.41) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9641402 | 0.67 | SLC6A3 (0.39) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9522457 | 0.67 | SLC6A3 (0.39) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9522537 | 0.67 | SLC6A3 (0.39) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL9667411 | 0.66 | CHRNB2 (0.37) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG |
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 4 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 |