Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3236511 | 0.92 | HDAC3 (0.38) | MPOHDAC3HDAC1SLC6A4KEAP1 | |
| SCHEMBL3235377 | 0.87 | HDAC3 (0.42) | MPOHDAC3HDAC1SLC6A4KEAP1 | |
| SCHEMBL3263676 | 0.84 | MPO (0.35) | MPOHDAC3HDAC1SLC6A4NCOR2 | |
| SCHEMBL3233689 | 0.84 | HDAC1 (0.42) | MPOHDAC3HDAC1 | |
| SCHEMBL3230365 | 0.83 | HDAC1 (0.43) | MPOHDAC3HDAC1SLC6A4 | |
| SCHEMBL3241826 | 0.83 | HDAC1 (0.36) | MPOHDAC3HDAC1NCOR2 | |
| SCHEMBL3228414 | 0.82 | FAAH (0.35) | MPOHDAC3HDAC1NCOR2 | |
| SCHEMBL3233610 | 0.82 | KDM4E (0.38) | HDAC3HDAC1NCOR2GAAMAPT | |
| SCHEMBL3241850 | 0.82 | HDAC1 (0.34) | MPOHDAC3HDAC1NCOR2MAPT | |
| SCHEMBL3238619 | 0.81 | 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 2 patents. 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 | claimed |
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |