Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 13/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8200716 | 1.00 | NISCH (0.51) | NISCHALDH1A1CYP1A2HPGDCASP1 | |
| SCHEMBL8194858 | 0.79 | NISCH (0.58) | NISCHHTR1DADRA1A | |
| SCHEMBL8194859 | 0.79 | NISCH (0.58) | NISCHHTR1DADRA1A | |
| SCHEMBL8201031 | 0.75 | NISCH (0.54) | NISCHALDH1A1CYP1A2HPGDCASP1 | |
| SCHEMBL8201034 | 0.75 | NISCH (0.54) | NISCHALDH1A1CYP1A2HPGDCASP1 | |
| SCHEMBL29287250 | 0.75 | NOTUM (0.38) | ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL1024642 | 0.75 | BACE1 (0.43) | — | |
| SCHEMBL1471407 | 0.75 | BACE1 (0.43) | — | |
| Alcohol SCHEMBL28563093 | 0.74 | NISCH (0.79) | NISCHALDH1A1CYP1A2HPGDCASP1 | |
| SCHEMBL3532943 | 0.72 | NISCH (0.65) | NISCHHTR1DADRA1A |
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-2000078726-A1 | IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |