Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | JMJD6 | Q6NYC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL13485035 | 0.72 | ALDH1A1 (0.37) | ALDH1A1HTTMAPTEPHX1SMN1; SMN2 | |
| SCHEMBL13485011 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HTTMAPTEPHX1RECQL | |
| SCHEMBL13485020 | 0.70 | ALDH1A1 (0.35) | ALDH1A1HTTMAPTEPHX1SMN1; SMN2 | |
| Alcohol SCHEMBL28213718 | 0.61 | EPHX1 (0.57) | ALDH1A1HTTEPHX1SMN1; SMN2CHRM2 | |
| SCHEMBL483590 | 0.61 | HTT (0.58) | ALDH1A1HTTMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL305155 | 0.60 | ALDH1A1 (0.50) | ALDH1A1HTTEPHX1SMN1; SMN2NAAA | |
| Butane SCHEMBL11212818 | 0.60 | EPHX1 (0.55) | ALDH1A1HTTEPHX1SMN1; SMN2NAAA | |
| SCHEMBL407811 | 0.60 | — | — | |
| Ethyl Acetate SCHEMBL17748836 | 0.60 | ALDH1A1 (0.54) | ALDH1A1HTTMAPTEPHX1SMN1; SMN2 | |
| SCHEMBL1535212 | 0.60 | EPHX1 (0.46) | ALDH1A1HTTMAPTEPHX1SMN1; SMN2 |
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-2011005052-A2 | NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | GREEN GROSS CORPORATION (KR) | 2011-01-13 | — | — | WO | disclosed |