Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CASP7 | P55210 | 2/20 | 0.32 |
| ▸ | CLK1 | P49759 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18259015 | 0.83 | SCN2A (0.45) | KDM4EALDH1A1L3MBTL1GAAMAPK1 | |
| SCHEMBL5043405 | 0.81 | SCN2A (0.31) | ALDH1A1L3MBTL1SCN2A | |
| SCHEMBL5043350 | 0.80 | CETP (0.31) | SCN2A | |
| SCHEMBL14472797 | 0.80 | S1PR1 (0.35) | KDM4EALDH1A1L3MBTL1GAAMAPK1 | |
| SCHEMBL18259061 | 0.77 | — | — | |
| SCHEMBL5050224 | 0.73 | RXFP1 (0.43) | KDM4EALDH1A1L3MBTL1GAAMAPK1 | |
| SCHEMBL5043225 | 0.73 | RXFP1 (0.40) | KDM4EALDH1A1L3MBTL1GAAMAPK1 | |
| SCHEMBL5049263 | 0.71 | TACR1 (0.35) | RXFP1PIK3CD | |
| SCHEMBL5624189 | 0.71 | CETP (0.45) | — | |
| SCHEMBL18259014 | 0.69 | MDM2 (0.33) | RXFP1PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1981342-B1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | REDDYS LAB LTD DR (IN) | 2016-11-30 | — | — | EP | disclosed |