Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Chloroquine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.90 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.90 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.90 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.90 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.90 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.90 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.90 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.90 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.90 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.90 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.90 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.90 |
| ▸ | PRNP | P04156 | 2/20 | 0.90 |
| ▸ | MTOR | P42345 | 2/20 | 0.90 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.90 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.90 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.90 |
| ▸ | APP | P05067 | 1/20 | 0.90 |
| ▸ | NQO2 | P16083 | 1/20 | 0.90 |
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 | |
|---|---|---|---|---|
| Chloroquine SCHEMBL4745454 | 0.95 | CHRM2 (0.85) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL28469482 | 0.95 | CHRM2 (0.85) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL27814047 | 0.95 | CHRM2 (0.96) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| (R)-Chloroquine SCHEMBL29429108 | 0.95 | CHRM2 (1.00) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| (R)-Chloroquine SCHEMBL134500 | 0.95 | CHRM2 (1.00) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL29363614 | 0.95 | CHRM2 (1.00) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL8934 | 0.95 | CHRM2 (1.00) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL8474661 | 0.95 | CHRM2 (1.00) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL8933 | 0.95 | CHRM2 (1.00) | CHRM2CHRM4CHRM5ADRA2ACHRM1 | |
| Chloroquine SCHEMBL23854336 | 0.94 | CHRM2 (0.98) | CHRM2CHRM4CHRM5ADRA2ACHRM1 |
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-115376647-A | Medicine usage amount recommendation method and device, electronic equipment and storage medium | 北京左医科技有限公司 | 2022-11-22 | — | — | CN | disclosed |