Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.34 |
| ▸ | MET | P08581 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL98509 | 1.00 | NPC1 (0.42) | NPC1RAB9ACHRM3ADRB2CHRM2 | |
| Iodide SCHEMBL661652 | 0.99 | NPC1 (0.41) | NPC1RAB9ACHRM3ADRB2CHRM2 | |
| Iodide SCHEMBL663055 | 0.90 | NPC1 (0.43) | NPC1RAB9ACHRM3ADRB2CHRM2 | |
| SCHEMBL99537 | 0.89 | CHRM3 (0.36) | CHRM3ADRB2CHRM2CHRM1BLM | |
| SCHEMBL99538 | 0.89 | CHRM3 (0.36) | CHRM3ADRB2CHRM2CHRM1BLM | |
| Iodide SCHEMBL661449 | 0.89 | CHRM3 (0.37) | CHRM3ADRB2CHRM2CHRM1BLM | |
| Iodide SCHEMBL661942 | 0.89 | CHRM3 (0.36) | CHRM3ADRB2CHRM2CHRM1BLM | |
| SCHEMBL99085 | 0.88 | CHRM3 (0.39) | NPC1RAB9ACHRM3ADRB2CHRM2 | |
| SCHEMBL99086 | 0.88 | CHRM3 (0.39) | NPC1RAB9ACHRM3ADRB2CHRM2 | |
| SCHEMBL98289 | 0.87 | CHRM3 (0.41) | NPC1RAB9ACHRM3CHRM2CHRM1 |
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 |