Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Clemastine. 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 | 1/20 | 0.85 |
| ▸ | CHRM3 | P20309 | 14/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.85 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.85 |
| ▸ | HTR1A | P08908 | 2/20 | 0.85 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.85 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.85 |
| ▸ | DRD1 | P21728 | 2/20 | 0.85 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.85 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.85 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.85 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.85 |
| ▸ | DRD3 | P35462 | 2/20 | 0.85 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.85 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.85 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.85 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.85 |
| ▸ | MLNR | O43193 | 1/20 | 0.85 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.85 |
| ▸ | TP53 | P04637 | 1/20 | 0.85 |
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 | |
|---|---|---|---|---|
| Clemastine SCHEMBL4087919 | 0.92 | CHRM3 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL727373 | 0.92 | CHRM3 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL4058472 | 0.92 | CHRM3 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL23785539 | 0.92 | CHRM3 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL4178 | 0.92 | CHRM3 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL23785540 | 0.92 | CHRM3 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL932384 | 0.91 | CHRM3 (0.98) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL8136275 | 0.91 | CHRM3 (0.84) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL18787212 | 0.91 | CYP3A4 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A | |
| Clemastine SCHEMBL41468 | 0.91 | CYP3A4 (1.00) | CHRM3CYP3A4CHRM2HTR1AADRA2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111302996-A | Preparation method of high-chiral-purity chloromalastine fumarate | 山东科源制药股份有限公司 | 2020-06-19 | — | — | CN | claimed |
| CN-107011228-B | A kind of preparation method of clemastine fumarate | 浙江诚意药业股份有限公司 | 2019-08-09 | — | — | CN | claimed |
| CN-107011228-A | A kind of preparation method of clemastine fumarate | 浙江诚意药业股份有限公司 | 2017-08-04 | — | — | CN | claimed |
| CN-111302996-A | Preparation method of high-chiral-purity chloromalastine fumarate | 山东科源制药股份有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-107011228-B | A kind of preparation method of clemastine fumarate | 浙江诚意药业股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-107011228-B | A kind of preparation method of clemastine fumarate | 浙江诚意药业股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-107011228-A | A kind of preparation method of clemastine fumarate | 浙江诚意药业股份有限公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-107011228-A | A kind of preparation method of clemastine fumarate | 浙江诚意药业股份有限公司 | 2017-08-04 | — | — | CN | disclosed |