Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1314678 | 0.83 | KDM4E (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1314645 | 0.82 | PTPN11 (0.43) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8336785 | 0.78 | KMO (0.37) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL17099921 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16032766 | 0.75 | HDAC1 (0.48) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1315529 | 0.75 | HDAC3 (0.39) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9394 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HDAC1HDAC6MAPTKDM4E | |
| SCHEMBL23146389 | 0.73 | CDC7 (0.45) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL31596021 | 0.72 | HDAC9 (0.36) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14018491 | 0.72 | DCK (0.36) | HSD17B13TDP1METKDM4EHRH3 |
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-2004058254-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |