Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL5996600 | 1.00 | ALDH1A1 (0.44) | ALDH1A1USP2LMNAALOX12MAPT | |
| SCHEMBL7877240 | 1.00 | ALDH1A1 (0.44) | ALDH1A1USP2LMNAALOX12MAPT | |
| SCHEMBL535867 | 0.79 | NPSR1 (0.46) | ALDH1A1USP2LMNAALOX12HCAR2 | |
| SCHEMBL106944 | 0.79 | NPSR1 (0.46) | ALDH1A1USP2LMNAALOX12HCAR2 | |
| SCHEMBL1778153 | 0.79 | NPSR1 (0.46) | ALDH1A1USP2LMNAALOX12HCAR2 | |
| SCHEMBL10583065 | 0.78 | ALDH1A1 (0.49) | ALDH1A1USP2LMNAALOX12MAPT | |
| SCHEMBL22783869 | 0.78 | ALDH1A1 (0.49) | ALDH1A1USP2LMNAALOX12MAPT | |
| SCHEMBL10583061 | 0.78 | ALDH1A1 (0.49) | ALDH1A1USP2LMNAALOX12MAPT | |
| SCHEMBL7975644 | 0.77 | NPSR1 (0.44) | ALDH1A1USP2LMNAALOX12MAPT | |
| SCHEMBL11719535 | 0.77 | NPSR1 (0.44) | ALDH1A1USP2LMNAALOX12MAPT |
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-6586613-B1 | Compounds such as 5-(tert-butyldimethylsiloxy)-7,7-dimethyl -4(4-fluorophenyl)-3-(hydroxy-(4-trifluorophenyl)-methyl)-2-isopropyl -5,6,7,8-tetrahydronaphthalene, used as antagonists for cholesteryl ester transferase protein; hyperlipemia | BAYER AKTIENGELLSCHAFT (DE) | 2003-07-01 | — | — | US | disclosed |