Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL25408257 | 0.96 | ADRA2A (0.69) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL8087679 | 0.94 | ADRA2A (0.67) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| Choline SCHEMBL25406334 | 0.93 | ADRA2A (0.60) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL16353041 | 0.92 | ADRA2A (0.82) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL3037579 | 0.88 | ADRA2A (0.83) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL16353067 | 0.87 | ADRA2A (0.82) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| Hydrochloric Acid SCHEMBL25376349 | 0.86 | MAPT (0.83) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL1984572 | 0.85 | ADRA2A (0.78) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL8087675 | 0.85 | ADRA2A (0.78) | ADRA2AADRA1AMAPTBLMCYP2C19 | |
| SCHEMBL12560596 | 0.84 | ADRA2A (0.69) | ADRA2AADRA1AMAPTBLMCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105315164-A | Environment-friendly choline ionic liquid and preparation method therefor | DALIAN CHEMICAL PHYSICS INST | 2016-02-10 | — | — | CN | disclosed |