Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11287089 | 0.91 | MEN1 (0.50) | — | |
| Bicarbonate SCHEMBL11407403 | 0.91 | MEN1 (0.50) | — | |
| Bicarbonate SCHEMBL9524362 | 0.91 | — | — | |
| Bicarbonate SCHEMBL9614727 | 0.91 | — | — | |
| Bicarbonate SCHEMBL28311889 | 0.91 | — | — | |
| Bicarbonate SCHEMBL11407408 | 0.91 | MEN1 (0.50) | — | |
| Hydrogen Peroxide SCHEMBL3880134 | 0.91 | MEN1 (0.60) | — | |
| Bicarbonate SCHEMBL11752204 | 0.87 | MEN1 (0.46) | — | |
| Bicarbonate SCHEMBL20740773 | 0.87 | MEN1 (0.46) | — | |
| Bicarbonate SCHEMBL28458023 | 0.87 | MEN1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040092438-A1 | Gd3-synthesis inhibitors for treating neuropathological disorders | KNOLL GMBH (DE) | 2004-05-13 | — | — | US | disclosed |