Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Poldine. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 5/20 | 0.67 |
| ▸ | CHRM3 known ✓ | P20309 | 12/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 11/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Poldine SCHEMBL1641786 | 0.83 | CHRM2 (0.55) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Bevonium SCHEMBL1650540 | 0.82 | CHRM2 (0.51) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL934371 | 0.82 | CHRM2 (1.00) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Oxypyrronium SCHEMBL29388831 | 0.78 | POLB (0.57) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL25730 | 0.77 | CHRM2 (0.81) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Hexocyclium SCHEMBL4323226 | 0.77 | CHRM2 (0.81) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Bevonium SCHEMBL28086190 | 0.77 | CHRM2 (0.47) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Oxypyrronium SCHEMBL916858 | 0.77 | CHRM2 (0.56) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Poldine SCHEMBL250977 | 0.76 | CHRM2 (0.48) | CHRM2KCNH2CHRM1CHRM3CYP2D6 | |
| Bevonium SCHEMBL28439272 | 0.76 | CHRM2 (0.46) | CHRM2KCNH2CHRM1CHRM3CYP2D6 |
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 |