Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL20170912 | 0.89 | HDAC1 (0.34) | HDAC1HDAC8HDAC6PTPN1ALDH1A1 | |
| SCHEMBL17412629 | 0.88 | HDAC1 (0.38) | HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL16065255 | 0.80 | HDAC1 (0.38) | HDAC1HDAC8HDAC6 | |
| SCHEMBL18723256 | 0.78 | HDAC1 (0.37) | HDAC1HDAC8HDAC6TBXA2RTBXAS1 | |
| SCHEMBL17407018 | 0.70 | IRAK4 (0.41) | — | |
| SCHEMBL16065045 | 0.70 | ALDH1A1 (0.39) | HDAC1HDAC8HDAC6PTPN1ALDH1A1 | |
| SCHEMBL18723161 | 0.70 | IRAK4 (0.41) | — | |
| SCHEMBL16065215 | 0.68 | ALDH1A1 (0.39) | HDAC1HDAC8HDAC6PTPN1ALDH1A1 | |
| SCHEMBL17406937 | 0.68 | IRAK4 (0.40) | HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL16065161 | 0.67 | PAICS (0.41) | HDAC1HDAC8HDAC6ADRB2ADRB1 |
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-2014143672-A1 | MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BIOGEN IDEC MA INC. (US) | 2014-09-18 | — | — | WO | disclosed |