Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.57 |
| ▸ | GPR3 | P46089 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3966414 | 0.80 | GPR3 (0.57) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL25049845 | 0.80 | ERN1 (0.61) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL7522141 | 0.77 | ERN1 (0.57) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL27886134 | 0.77 | ERN1 (0.57) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL3892400 | 0.77 | ERN1 (0.57) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL27374101 | 0.77 | HSD17B10 (0.62) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL2126320 | 0.76 | PDE10A (0.59) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL6489948 | 0.76 | GPR3 (0.52) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL31109178 | 0.76 | MAPT (0.59) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL12767717 | 0.74 | ERN1 (0.54) | ERN1GPR3ALDH1A1CYP1A2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6825215-B2 | N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-11-30 | — | — | US | disclosed |