Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL99375 | 0.92 | NPC1 (0.49) | NPC1RAB9AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL99141 | 0.91 | NPC1 (0.48) | NPC1RAB9AMAPTPOLBCNR2 | |
| SCHEMBL99117 | 0.89 | CHEK1 (0.38) | NPC1RAB9AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL99071 | 0.88 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2MEN1TSHR | |
| SCHEMBL100167 | 0.88 | SMN1; SMN2 (0.43) | NPC1RAB9AMAPTPOLBCNR2 | |
| SCHEMBL102612 | 0.87 | NPC1 (0.48) | NPC1RAB9AMAPTBRD4POLB | |
| SCHEMBL663672 | 0.86 | CHRM3 (0.44) | — | |
| SCHEMBL102843 | 0.86 | HCAR2 (0.42) | NPC1RAB9AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL98208 | 0.85 | HCAR2 (0.41) | NPC1RAB9AMAPTPOLBCNR2 | |
| SCHEMBL100524 | 0.84 | RORC (0.43) | NPC1RAB9AMAPTSMN1; SMN2MEN1 |
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 |