Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP4 | P49662 | 1/20 | 0.32 |
| ▸ | CASP5 | P51878 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN4A | P35499 | 1/20 | 0.31 |
| ▸ | SCN7A | Q01118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4132048 | 0.87 | CHRM5 (0.67) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| SCHEMBL4132043 | 0.87 | CHRM5 (0.67) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| SCHEMBL16271017 | 0.87 | CHRM5 (0.67) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28416577 | 0.85 | CHRM5 (0.64) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| SCHEMBL2681656 | 0.85 | CHRM5 (0.62) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| SCHEMBL861535 | 0.85 | CHRM5 (0.62) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| SCHEMBL861534 | 0.85 | CHRM5 (0.62) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15190826 | 0.83 | CHRM5 (0.60) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL14634437 | 0.83 | CHRM5 (0.60) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 | |
| SCHEMBL14310708 | 0.82 | CHRM5 (0.52) | CHRM5ADRA2CACHEHRH3SMN1; SMN2 |
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-113135918-B | Pyrazolo [1,2] diaza compounds | 鲁南制药集团股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-113135918-A | Pyrazolo [1,2] diazepine compound | 鲁南制药集团股份有限公司 | 2021-07-20 | — | — | CN | disclosed |