Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2073778 | 0.80 | CYP3A4 (0.43) | SCN5ASCN9AMEN1KMT2ANR1I2 | |
| SCHEMBL15564311 | 0.78 | FAAH (0.40) | MMP1MMP9MMP13SCN5ASCN9A | |
| SCHEMBL2073780 | 0.76 | SCN5A (0.37) | SCN5ASCN9ACETPMEN1KMT2A | |
| SCHEMBL28712085 | 0.73 | SCN5A (0.47) | MMP1MMP9MMP13SCN5ASCN9A | |
| SCHEMBL12315581 | 0.72 | GAA (0.50) | MMP1MMP9MMP13SCN5ASCN9A | |
| SCHEMBL11843386 | 0.71 | ALDH1A1 (0.43) | LMNATAAR1 | |
| SCHEMBL10424311 | 0.70 | SMN1; SMN2 (0.46) | MMP1MMP9MMP13SCN5ASCN9A | |
| SCHEMBL28064340 | 0.69 | MMP1 (0.44) | MMP1MMP9MMP13SCN5ASCN9A | |
| SCHEMBL7299394 | 0.69 | ESR1 (0.47) | CYP3A4 | |
| SCHEMBL7299386 | 0.69 | ESR1 (0.47) | CYP3A4 |
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-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |