Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11078666 | 0.85 | GLA (0.38) | GLAPOLBALDH1A1MAPK1CYP1A2 | |
| SCHEMBL11074842 | 0.84 | GLA (0.37) | GLAPOLBALDH1A1HSD17B10MAPK1 | |
| SCHEMBL11087599 | 0.82 | GLA (0.36) | GLAPOLBMAPK1KDM4CGPR84 | |
| SCHEMBL11471657 | 0.82 | GLA (0.36) | GLAPOLBALDH1A1HSD17B10MAPK1 | |
| SCHEMBL11077197 | 0.81 | GLA (0.35) | GLAPOLBTSHRKDM4CGPR84 | |
| SCHEMBL5990880 | 0.75 | MAPK1 (0.39) | GLAPOLBALDH1A1HSD17B10MAPK1 | |
| SCHEMBL1079177 | 0.72 | PARP1 (0.41) | ALDH1A1MAPK1IKBKBSLC9A1 | |
| SCHEMBL24409535 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MAPK1GPR84 | |
| SCHEMBL11472946 | 0.72 | GPR84 (0.43) | ALDH1A1MAPK1GPR84HCAR2 | |
| SCHEMBL7234563 | 0.71 | ALDH1A1 (0.39) | GLAPOLBALDH1A1HSD17B10MAPK1 |
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 |