Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.56 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16965084 | 0.81 | CHRNB2 (0.71) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL22473012 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL1814056 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL1814057 | 0.80 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL1201195 | 0.79 | — | — | |
| SCHEMBL9601725 | 0.79 | — | — | |
| SCHEMBL9601715 | 0.79 | — | — | |
| SCHEMBL19639856 | 0.77 | PDK1 (0.43) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL774621 | 0.77 | — | — | |
| SCHEMBL12986893 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611144-B1 | DERIVATIVES OF 2-(8,9-DIOXO-2,6-DIAZABICYCLO(5.2.0)NON-1(7)-EN-2-YL)ALKYL PHOSPHONIC ACID AND THEIR USE AS N-METHYL-D-ASPARTATE (NMDA) RECETOR ANTAGONISTS | WYETH LLC (US) | 2010-09-15 | — | — | EP | claimed |