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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 SCHEMBL10380835 | 0.93 | BBOX1 (0.41) | BBOX1TSHRALDH1A1NFKB1KCNA1 | |
| Acetic Acid SCHEMBL10662144 | 0.88 | BBOX1 (0.41) | BBOX1TSHRALDH1A1NFKB1KCNA1 | |
| SCHEMBL27631499 | 0.87 | BBOX1 (0.42) | BBOX1BCHEACHE | |
| Bicarbonate SCHEMBL366839 | 0.85 | BBOX1 (0.43) | BBOX1TSHRALDH1A1 | |
| SCHEMBL361099 | 0.84 | TSHR (0.44) | TSHRALDH1A1NFKB1KCNA1KDM4E | |
| Formic Acid SCHEMBL27874262 | 0.83 | TSHR (0.33) | BBOX1TSHRNFKB1KCNA1KDM4E | |
| Formic Acid SCHEMBL27870927 | 0.83 | TSHR (0.33) | BBOX1TSHRNFKB1KCNA1KDM4E | |
| Bicarbonate SCHEMBL10803061 | 0.82 | BBOX1 (0.42) | BBOX1TSHRALDH1A1 | |
| Sulfuric Acid SCHEMBL10416158 | 0.82 | MEN1 (0.33) | BBOX1TSHRALDH1A1 | |
| Phosphoric Acid SCHEMBL10381489 | 0.82 | BBOX1 (0.36) | BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990014448-A1 | ELECTROLYTIC REDUCTIVE COUPLING OF QUATERNARY AMMONIUM COMPOUNDS | SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) | 1990-11-29 | — | — | WO | disclosed |
| US-4931155-A | Electrolytic reductive coupling of quaternary ammonium compounds | SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) | 1990-06-05 | — | — | US | disclosed |