Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Histapyrrodine. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 6/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.64 |
| ▸ | DRD1 | P21728 | 5/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.64 |
| ▸ | HTR2A | P28223 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.64 |
| ▸ | HTR2C | P28335 | 2/20 | 0.64 |
| ▸ | HTR2B | P41595 | 2/20 | 0.64 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | HTR6 | P50406 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Methapyrilene SCHEMBL19209 | 0.80 | CYP2D6 (1.00) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Methapyrilene SCHEMBL745149 | 0.79 | CYP2D6 (0.97) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Methapyrilene SCHEMBL498484 | 0.79 | KDM4E (1.00) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Methapyrilene SCHEMBL1074644 | 0.78 | CYP2D6 (0.95) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Methapyrilene SCHEMBL28140755 | 0.76 | CYP2D6 (0.86) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Pyrilamine SCHEMBL28086129 | 0.75 | HRH1 (0.57) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Tripelennamine SCHEMBL17970 | 0.74 | CHRM2 (1.00) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Methaphenilene SCHEMBL1245292 | 0.74 | CHRM2 (0.63) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Tripelennamine SCHEMBL29600775 | 0.74 | CHRM2 (1.00) | HRH1CHRM2ADRA2ADRD1SLC6A4 | |
| Methapyrilene SCHEMBL7121305 | 0.74 | CYP2D6 (0.86) | HRH1CHRM2ADRA2ADRD1SLC6A4 |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |