Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL99703 | 0.91 | NPC1 (0.58) | NPC1RAB9APOLBMAPTALDH1A1 | |
| SCHEMBL102179 | 0.87 | NPC1 (0.42) | NPC1RAB9ABRD4POLBMAPT | |
| SCHEMBL99878 | 0.86 | KDM4E (0.43) | NPC1RAB9APOLBMAPTALDH1A1 | |
| SCHEMBL99091 | 0.86 | RAB9A (0.51) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL663138 | 0.84 | CHRM3 (0.51) | BRD4 | |
| SCHEMBL101227 | 0.84 | NPC1 (0.45) | NPC1RAB9APOLBMAPTALDH1A1 | |
| Iodide SCHEMBL99924 | 0.84 | CHRM3 (0.39) | NPC1RAB9ABRD4 | |
| SCHEMBL101223 | 0.83 | HDAC1 (0.51) | NPC1RAB9APOLBMAPTALDH1A1 | |
| SCHEMBL102437 | 0.82 | RORC (0.48) | NPC1RAB9APOLBMAPTALDH1A1 | |
| SCHEMBL100326 | 0.81 | HCAR2 (0.46) | NPC1RAB9APOLBMAPTALDH1A1 |
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 |