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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 SCHEMBL29201333 | 0.90 | CHRM2 (0.40) | ALDH1A1TSHRCHRM2CHRM1CHRM3 | |
| SCHEMBL29201328 | 0.88 | ALDH1A1 (0.36) | ALDH1A1TSHRCHRM2CHRM1CHRM3 | |
| SCHEMBL29201386 | 0.86 | ALDH1A1 (0.35) | ALDH1A1TSHRCHRM2CHRM1CHRM3 | |
| SCHEMBL17418306 | 0.86 | SLC22A1 (0.43) | ALDH1A1TSHRCHRM2CHRM1SLC22A1 | |
| SCHEMBL17418237 | 0.85 | BBOX1 (0.38) | ALDH1A1TSHRBBOX1THRB | |
| Methoxyacetic Acid SCHEMBL17418710 | 0.85 | BBOX1 (0.32) | ALDH1A1TSHRBBOX1 | |
| Bromide SCHEMBL29201369 | 0.84 | SLC22A1 (0.41) | ALDH1A1TSHRCHRM2CHRM1SLC22A1 | |
| Hydrochloric Acid SCHEMBL29201302 | 0.84 | SLC22A1 (0.41) | ALDH1A1TSHRCHRM2CHRM1SLC22A1 | |
| Iodide SCHEMBL29201292 | 0.84 | SLC22A1 (0.41) | ALDH1A1TSHRCHRM2CHRM1SLC22A1 | |
| Acetic Acid Methyl Ester SCHEMBL28005603 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TSHRCHRM2CHRM1CHRM3 |
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 |