Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Emedastine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Emedastine SCHEMBL29493445 | 0.99 | — | — | |
| Emedastine SCHEMBL29770 | 0.99 | — | — | |
| Emedastine SCHEMBL28369975 | 0.98 | — | — | |
| SCHEMBL10922792 | 0.94 | — | — | |
| SCHEMBL7655663 | 0.94 | — | — | |
| SCHEMBL10925460 | 0.91 | — | — | |
| Emedastine SCHEMBL5322530 | 0.91 | — | — | |
| Emedastine SCHEMBL449581 | 0.90 | POLB (0.62) | — | |
| Emedastine SCHEMBL41385 | 0.90 | POLB (0.62) | — | |
| Emedastine SCHEMBL449580 | 0.90 | POLB (0.62) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112585690-A | System and method for producing individualized individual unit doses containing a pharmaceutically active substance | 阿奎斯蒂弗医疗股份有限公司 | 2021-03-30 | — | — | CN | disclosed |
| US-7348140-B1 | Clinical indications for genotyping polymorphic variants of G-protein coupled receptors | ACADIA PHARMACEUTICALS, INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-6245795-B1 | USING HISTAMINE H2 RECEPTOR ANTAGONIST | KANEBO, LIMITED (JP) | 2001-06-12 | — | — | US | disclosed |