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.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 5/20 | 0.42 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28366722 | 0.95 | CA1 (0.50) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL251417 | 0.94 | CA4 (0.46) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL601978 | 0.94 | — | — | |
| Bicarbonate SCHEMBL5472524 | 0.89 | CA4 (0.42) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL1697624 | 0.89 | — | — | |
| Bicarbonate SCHEMBL9247593 | 0.89 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL10901890 | 0.89 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL456119 | 0.89 | — | — | |
| Bicarbonate SCHEMBL8862333 | 0.89 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL9247678 | 0.89 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5558858-A | ADSORBTIVE PROTEIN-BINDING COORDINATION COMPOUNDS, TOPICAL SKIN PREPARATIONS | REHEIS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0072142-A2 | Preparation of co-dried aluminium oxyhydroxides | REHEIS, INC. (US) | 1983-02-16 | — | — | EP | disclosed |