Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 6/20 | 0.34 |
| ▸ | RORC | P51449 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3228574 | 0.91 | ITK (0.36) | ITKHCRTR2KDM1ARORCALDH1A1 | |
| SCHEMBL3235399 | 0.87 | HDAC3 (0.35) | ALDH1A1HDAC3 | |
| SCHEMBL3232050 | 0.83 | HDAC3 (0.40) | HCRTR2ALDH1A1HDAC3 | |
| SCHEMBL3234039 | 0.80 | HDAC3 (0.34) | ALDH1A1HDAC3 | |
| SCHEMBL2122406 | 0.80 | HDAC1 (0.42) | ALDH1A1HDAC3 | |
| SCHEMBL3237799 | 0.79 | HDAC3 (0.36) | HCRTR2ALDH1A1HDAC3 | |
| SCHEMBL3235377 | 0.76 | HDAC3 (0.42) | HCRTR2ALDH1A1HDAC3 | |
| SCHEMBL3068615 | 0.75 | PARP15 (0.38) | ITKHCRTR2PGR | |
| SCHEMBL3231994 | 0.74 | HDAC3 (0.41) | ALDH1A1HDAC3 | |
| SCHEMBL3233805 | 0.73 | KDM4E (0.36) | ALDH1A1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |