Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 7/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241850 | 0.86 | HDAC1 (0.34) | HDAC1HDAC3MPO | |
| SCHEMBL3241080 | 0.80 | MPO (0.40) | HDAC1HDAC3MPO | |
| SCHEMBL3227664 | 0.80 | HDAC1 (0.32) | HDAC1HDAC3MPOGPBAR1 | |
| SCHEMBL3230365 | 0.79 | HDAC1 (0.43) | HDAC1HDAC3MPO | |
| SCHEMBL3232041 | 0.78 | HDAC1 (0.34) | HDAC1HDAC3MPO | |
| SCHEMBL3236799 | 0.76 | LMNA (0.44) | HDAC1 | |
| SCHEMBL3236511 | 0.76 | HDAC3 (0.38) | HDAC1HDAC3MPO | |
| SCHEMBL3233610 | 0.76 | KDM4E (0.38) | HDAC1HDAC3 | |
| SCHEMBL3238619 | 0.75 | KDM4E (0.34) | HDAC1HDAC3MPO | |
| SCHEMBL3240737 | 0.74 | MAPK14 (0.48) | HDAC1 |
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 |