Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL661774 | 0.94 | MCHR1 (0.41) | MCHR1CDK8MAPTKDM4EPKM | |
| SCHEMBL661325 | 0.90 | PDCD1 (0.36) | MCHR1CDK8MAPTROCK2KDM4E | |
| SCHEMBL661903 | 0.88 | S1PR1 (0.34) | MCHR1CDK8NPC1PKMRAB9A | |
| SCHEMBL175794 | 0.87 | CDK8 (0.42) | MCHR1CDK8ROCK2 | |
| SCHEMBL660644 | 0.86 | NPC1 (0.38) | MAPTNPC1SMN1; SMN2ROCK2ALDH1A1 | |
| SCHEMBL101815 | 0.86 | ALPL (0.37) | ALDH1A1 | |
| SCHEMBL169855 | 0.83 | CHRM3 (0.51) | — | |
| SCHEMBL99012 | 0.81 | CHRM3 (0.51) | — | |
| SCHEMBL132389 | 0.80 | CHEK1 (0.37) | SMN1; SMN2 | |
| SCHEMBL134109 | 0.80 | ALPL (0.36) | SMN1; SMN2HDAC1HDAC2ALDH1A1LMNA |
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 |