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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.57 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Tetrahexylammonium SCHEMBL2275860 | 0.98 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Bicarbonate SCHEMBL20984991 | 0.98 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrapentylammonium SCHEMBL2274108 | 0.95 | SLC22A1 (0.63) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL109269 | 0.95 | SLC22A1 (0.63) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL9315609 | 0.95 | SLC22A1 (0.63) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL9315602 | 0.93 | SLC22A1 (0.60) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL5786104 | 0.91 | SLC22A1 (0.57) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL30698147 | 0.91 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL30698149 | 0.91 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL16093912 | 0.91 | SLC22A1 (0.57) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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-117813334-A | Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same | 广荣化学株式会社 | 2024-04-02 | — | — | CN | disclosed |