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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6725263 | 0.93 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL5014180 | 0.77 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19THRB | |
| SCHEMBL6725242 | 0.77 | CYP2D6 (0.35) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28641336 | 0.76 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7965471 | 0.75 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27624652 | 0.75 | — | — | |
| SCHEMBL1108008 | 0.74 | TSHR (0.43) | CYP1A2CYP2D6CYP2C19ALDH1A1THRB | |
| SCHEMBL11331559 | 0.74 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL6720468 | 0.73 | TSHR (0.42) | CYP1A2CYP2D6CYP2C19ALDH1A1THRB | |
| SCHEMBL11798697 | 0.73 | CES2 (0.40) | MEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104904055-B | Use of fluoroisopropyl derivatives as additives in electrolytes | 巴斯夫欧洲公司 | 2018-10-02 | — | — | CN | disclosed |
| CN-104904055-A | Use of fluoroisopropyl derivatives as additives in electrolytes | BASF SE | 2015-09-09 | — | — | CN | disclosed |