Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3241080 | 0.84 | MPO (0.40) | MPOSLC6A4HDAC3HDAC1NCOR2 | |
| SCHEMBL3236511 | 0.80 | HDAC3 (0.38) | MPOSLC6A4HDAC3HDAC1NCOR2 | |
| SCHEMBL3233689 | 0.78 | HDAC1 (0.42) | MPOHDAC3HDAC1 | |
| SCHEMBL3230365 | 0.77 | HDAC1 (0.43) | MPOSLC6A4HDAC3HDAC1 | |
| SCHEMBL3235377 | 0.76 | HDAC3 (0.42) | MPOSLC6A4HDAC3HDAC1NCOR2 | |
| SCHEMBL3241850 | 0.73 | HDAC1 (0.34) | MPOHDAC3HDAC1NCOR2 | |
| SCHEMBL3228414 | 0.73 | FAAH (0.35) | MPOHDAC3HDAC1NCOR2 | |
| SCHEMBL3233610 | 0.73 | KDM4E (0.38) | HDAC3HDAC1NCOR2 | |
| SCHEMBL3241826 | 0.72 | HDAC1 (0.36) | MPOHDAC3HDAC1NCOR2 | |
| SCHEMBL3238619 | 0.72 | KDM4E (0.34) | MPOHDAC3HDAC1 |
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 |