Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16495044 | 0.89 | HDAC1 (0.58) | HDAC1HDAC8HDAC6MAPTPOLB | |
| SCHEMBL12690954 | 0.82 | HDAC1 (0.48) | HDAC1HDAC8HDAC6RAF1ACHE | |
| SCHEMBL15014116 | 0.82 | HDAC1 (0.62) | HDAC1HDAC8HDAC6MAPTPOLB | |
| SCHEMBL27781589 | 0.80 | HDAC1 (0.51) | HDAC1MAPTHPGDRAF1KDM4E | |
| SCHEMBL4132964 | 0.80 | HDAC1 (0.46) | HDAC1MAPTKDM4EALDH1A1MAPK14 | |
| SCHEMBL13181139 | 0.80 | HDAC1 (0.59) | HDAC1HDAC8HDAC6MAPTPOLB | |
| SCHEMBL13153019 | 0.78 | HDAC1 (0.58) | HDAC1HDAC8HDAC6MAPTPOLB | |
| SCHEMBL4130118 | 0.78 | MEN1 (0.45) | HDAC1ACHE | |
| SCHEMBL4138326 | 0.78 | HDAC1 (0.48) | HDAC1MAPT | |
| SCHEMBL30530313 | 0.78 | HDAC1 (0.62) | HDAC1HDAC8HDAC6MAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | claimed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | claimed |