Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.64 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.64 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.64 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.64 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.64 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.64 |
| ▸ | APP | P05067 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | IAPP | P10997 | 4/20 | 0.55 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12489509 | 0.92 | GABRA1 (0.65) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL12489265 | 0.82 | MEN1 (0.51) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL11459628 | 0.78 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL11459629 | 0.78 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL11434793 | 0.78 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL13332829 | 0.78 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL25307502 | 0.75 | APP (0.67) | APPCYP3A4PTGS1ALOX5MAOB | |
| Demethylenated Piperic Acid SCHEMBL9654241 | 0.74 | HSD17B10 (0.76) | APPCYP3A4IAPPTTRDPP4 | |
| Demethylenated Piperic Acid SCHEMBL9654233 | 0.74 | HSD17B10 (0.76) | APPCYP3A4IAPPTTRDPP4 | |
| SCHEMBL15944206 | 0.74 | CYP3A4 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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-2011080313-A1 | NOVEL PIPERINE DERIVATIVES AS GABA - A RECEPTORS MODULATORS | Universität Wien (AT) | 2011-07-07 | — | — | WO | disclosed |