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 | 0.84 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | GMNN | O75496 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | CHRM3 | P20309 | 14/20 | 0.84 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.84 |
| ▸ | HTR1A | P08908 | 2/20 | 0.84 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.84 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.84 |
| ▸ | DRD1 | P21728 | 2/20 | 0.84 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.84 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.84 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.84 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.84 |
| ▸ | DRD3 | P35462 | 2/20 | 0.84 |
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 SCHEMBL41468 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL18787212 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL27597691 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL28170352 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL4098555 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL33403 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL3017168 | 1.00 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL4102782 | 0.94 | CYP3A4 (0.89) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL23785540 | 0.92 | CHRM3 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| Clemastine SCHEMBL4087919 | 0.92 | CHRM3 (1.00) | CYP3A4SMN1; SMN2MEN1GMNNLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180055840-A1 | ORAL FORMULATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2018-03-01 | — | — | US | disclosed |
| US-20170202833-A1 | ORAL FORMULATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2017-07-20 | — | — | US | disclosed |
| US-20150126521-A1 | Oral Formulation | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-05-07 | — | — | US | disclosed |
| EP-2844232-A1 | ORAL FORMULATION | Otsuka Pharmaceutical Co., Limited (JP) | 2015-03-11 | — | — | EP | disclosed |
| WO-2013165021-A1 | ORAL FORMULATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-11-07 | — | — | WO | disclosed |