Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL101227 | 0.86 | NPC1 (0.45) | RORCHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL101223 | 0.85 | HDAC1 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL99703 | 0.83 | NPC1 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL100587 | 0.83 | RORC (0.46) | RORCHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL99412 | 0.83 | HCAR2 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL101623 | 0.82 | HDAC2 (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL660716 | 0.82 | CHRM3 (0.51) | — | |
| SCHEMBL102612 | 0.82 | NPC1 (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL100326 | 0.82 | HCAR2 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Iodide SCHEMBL663553 | 0.81 | RORC (0.40) | RORCS1PR1NPC1RAB9AS1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |