Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27405406 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL6741845 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL11229817 | 0.89 | TSHR (0.57) | — | |
| Hydrochloric Acid SCHEMBL6748916 | 0.89 | TSHR (0.57) | — | |
| Hydrochloric Acid SCHEMBL6746366 | 0.89 | TSHR (0.57) | — | |
| Hydrochloric Acid SCHEMBL7788020 | 0.89 | TSHR (0.47) | — | |
| Water SCHEMBL27316528 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL27404706 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL27406827 | 0.85 | — | — | |
| Water SCHEMBL27935933 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105189438-A | Substituted aromatic compounds for treating fibrosis and related methods | PROMETIC BIOSCIENCES INC | 2015-12-23 | — | — | CN | disclosed |