Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17412629 | 0.92 | HDAC1 (0.38) | HDAC1HDAC8HDAC6DAGLAIRAK4 | |
| SCHEMBL18723256 | 0.82 | HDAC1 (0.37) | HDAC1HDAC8HDAC6DAGLAIRAK4 | |
| SCHEMBL16065256 | 0.81 | SMPD1 (0.41) | HDAC1HDAC8HDAC6MAOAMAOB | |
| SCHEMBL16065263 | 0.80 | HDAC1 (0.36) | HDAC1HDAC8HDAC6 | |
| SCHEMBL16065231 | 0.78 | HDAC1 (0.44) | HDAC1HDAC8HDAC6IRAK4ROCK2 | |
| SCHEMBL16748703 | 0.73 | DAGLA (0.34) | HDAC1HDAC8HDAC6MAOAMAOB | |
| SCHEMBL17406937 | 0.72 | IRAK4 (0.40) | HDAC1HDAC8HDAC6DAGLAIRAK4 | |
| SCHEMBL18723160 | 0.72 | IRAK4 (0.41) | SMPD1IRAK4 | |
| SCHEMBL17407015 | 0.72 | IRAK4 (0.41) | SMPD1IRAK4 | |
| SCHEMBL12800496 | 0.71 | HDAC1 (0.49) | HDAC1HDAC8HDAC6DAGLA |
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 |