Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 6/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2933098 | 0.91 | CHRM2 (0.66) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL12441787 | 0.91 | CHRM2 (0.66) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL1347864 | 0.81 | CYP19A1 (0.46) | CHRM2CHRM1CYP2D6KCNH2CHRM3 | |
| SCHEMBL8669644 | 0.78 | MAPT (0.56) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL5552938 | 0.78 | CYP2D6 (0.42) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL20045514 | 0.77 | CHRM2 (0.71) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL11729536 | 0.77 | CHRM2 (0.51) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL7439525 | 0.77 | SMN1; SMN2 (0.57) | CHRM2CHRM1CYP2D6KCNH2CHRM3 | |
| SCHEMBL18911066 | 0.76 | CHRM2 (0.47) | CHRM2CHRM1CYP2D6KCNH2TP53 | |
| SCHEMBL1836352 | 0.76 | ESR1 (0.47) | CHRM2CHRM1CYP2D6KCNH2TP53 |
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-110256314-B | Preparation method of beta-aryl ketone compound and product thereof | 南京林业大学 | 2020-12-15 | — | — | CN | disclosed |