Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24434345 | 0.85 | GAA (0.39) | GAAHTTCYP2D6LMNACHRM2 | |
| SCHEMBL18388240 | 0.85 | GAA (0.39) | GAAHTTCYP2D6LMNA | |
| SCHEMBL19937380 | 0.84 | GAA (0.38) | GAAHTTCYP2D6LMNA | |
| SCHEMBL26083012 | 0.81 | GAA (0.39) | GAAHTTCYP2D6LMNACHRM2 | |
| SCHEMBL15672479 | 0.80 | GAA (0.39) | GAAHTTCYP2D6LMNACHRM2 | |
| SCHEMBL316777 | 0.78 | CA2 (0.47) | GAAHTTCYP2D6CHRM2CHRM1 | |
| SCHEMBL23254223 | 0.76 | CA2 (0.42) | GAAHTTCHRM2CHRM1CHRM3 | |
| SCHEMBL12368549 | 0.76 | GAA (0.42) | GAAHTTCYP2D6LMNACHRM2 | |
| SCHEMBL26083014 | 0.76 | GAA (0.42) | GAAHTTCYP2D6LMNACHRM2 | |
| SCHEMBL13657158 | 0.75 | GAA (0.36) | GAAHTTCYP2D6LMNACHRM2 |
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-2514800-B2 | Compounds and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2018-03-07 | — | — | EP | disclosed |