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 | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 12/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4338960 | 0.90 | TBXAS1 (0.49) | TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1 | |
| Iodide SCHEMBL27677678 | 0.88 | TBXAS1 (0.47) | TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1 | |
| Bromide SCHEMBL28286964 | 0.88 | TBXAS1 (0.47) | TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1 | |
| Hydrochloric Acid SCHEMBL28328253 | 0.88 | TBXAS1 (0.50) | TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL1051113 | 0.80 | TBXAS1 (0.51) | TBXAS1ALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Bicarbonate SCHEMBL29201334 | 0.80 | TBXAS1 (0.51) | TBXAS1ALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL27909057 | 0.80 | TBXAS1 (0.49) | TBXAS1ALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL11266178 | 0.79 | TBXAS1 (0.77) | TBXAS1ALDH1A1EGLN3 | |
| Acetic Acid SCHEMBL28843275 | 0.79 | TBXAS1 (0.55) | TBXAS1ALDH1A1CYP11B1CYP11B2EGLN3 | |
| SCHEMBL46043 | 0.78 | TBXAS1 (0.54) | TBXAS1ALDH1A1CYP17A1CYP11B1CYP11B2 |
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 |