Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | PTPRS | Q13332 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789343 | 0.87 | LTA4H (0.48) | HDAC6HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL12972910 | 0.79 | ACHE (0.41) | HDAC6HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL17166936 | 0.75 | GGPS1 (0.38) | HDAC6HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL12972897 | 0.75 | FDPS (0.56) | — | |
| SCHEMBL15627403 | 0.72 | CYP1A2 (0.56) | HDAC6HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL17156982 | 0.72 | LTA4H (0.54) | — | |
| Dansylsarcosine SCHEMBL30586115 | 0.69 | L3MBTL1 (0.61) | HDAC6HDAC3HDAC1HDAC2NCOR2 | |
| Dansylsarcosine SCHEMBL39162 | 0.69 | L3MBTL1 (0.61) | HDAC6HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL10970748 | 0.66 | FFAR1 (0.50) | TDP1L3MBTL1 | |
| SCHEMBL2790125 | 0.65 | ACHE (0.43) | — |
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-2240501-B1 | HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE | UNIV NANTES (FR) | 2015-10-14 | — | — | EP | disclosed |