Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | PRKCA | P17252 | 5/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29044588 | 0.83 | CYP2D6 (0.35) | CYP2D6CA1CA9NAAA | |
| SCHEMBL11988739 | 0.81 | PTPN1 (0.40) | CHRM2CHRM4CHRM1CHRM3PRKCA | |
| SCHEMBL30590682 | 0.81 | PTPN1 (0.40) | CHRM2CHRM4CHRM1CHRM3PRKCA | |
| SCHEMBL29044601 | 0.81 | NAAA (0.37) | CYP2D6CA1CA9NAAAPRKCA | |
| SCHEMBL29044600 | 0.80 | NAAA (0.39) | CYP2D6NAAAPRKCA | |
| SCHEMBL29044606 | 0.79 | NAAA (0.38) | CYP2D6NAAAPRKCA | |
| SCHEMBL29044627 | 0.77 | NAAA (0.36) | CYP2D6NAAAPRKCA | |
| SCHEMBL12883933 | 0.73 | CYP2D6 (0.40) | CYP2D6NAAAATM | |
| SCHEMBL16161014 | 0.73 | — | — | |
| SCHEMBL2288161 | 0.72 | CYP2D6 (0.38) | CYP2D6CA1CA9ATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021038509-A1 | 4'-ETHYNYL-2'-DEOXYADENOSINE DERIVATIVES AND THEIR USE IN HIV THERAPY | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2021-03-04 | — | — | WO | disclosed |