Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL102082 | 0.95 | RAB9A (0.44) | NPC1RAB9ASMN1; SMN2POLBHCAR2 | |
| SCHEMBL100027 | 0.90 | GAA (0.39) | NPC1RAB9AHDAC1HDAC3HDAC4 | |
| SCHEMBL102617 | 0.90 | HCAR2 (0.39) | NPC1RAB9AHDAC1HDAC3HDAC4 | |
| SCHEMBL100167 | 0.88 | SMN1; SMN2 (0.43) | NPC1RAB9AHDAC1HDAC3HDAC4 | |
| SCHEMBL101458 | 0.86 | HCAR2 (0.45) | RAB9AMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL175263 | 0.86 | CHRM3 (0.48) | — | |
| SCHEMBL98208 | 0.86 | HCAR2 (0.41) | NPC1RAB9AHDAC1HDAC2MEN1 | |
| SCHEMBL99379 | 0.85 | RAB9A (0.48) | NPC1RAB9AHDAC1HDAC3HDAC4 | |
| SCHEMBL100652 | 0.84 | HCAR2 (0.44) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL102147 | 0.84 | LTB4R (0.44) | MEN1ALDH1A1MAPTKMT2ASMN1; SMN2 |
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 |