Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2031009 | 0.83 | CYP2C19 (0.48) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL5383270 | 0.81 | — | — | |
| SCHEMBL10045148 | 0.81 | CYP2C19 (0.50) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL8850854 | 0.79 | CYP2C19 (0.46) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10045227 | 0.79 | CYP2C19 (0.46) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL8645347 | 0.77 | CYP2C19 (0.44) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL21572694 | 0.77 | CYP2C19 (0.50) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10897098 | 0.77 | CYP2C19 (0.50) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL10045226 | 0.77 | CYP2C19 (0.59) | CYP2C19MEN1GLAKMT2ACYP1A2 | |
| SCHEMBL479051 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115286571-A | Chloroquine derivative and preparation method thereof | 华南理工大学 | 2022-11-04 | — | — | CN | claimed |
| CN-115286571-A | Chloroquine derivative and preparation method thereof | 华南理工大学 | 2022-11-04 | — | — | CN | disclosed |