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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.78 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21064874 | 0.88 | TSHR (1.00) | TSHRCA1CA12CA2CA9 | |
| SCHEMBL19193 | 0.88 | — | — | |
| SCHEMBL28909390 | 0.86 | TSHR (0.82) | TSHRCA1CA12CA2CA9 | |
| SCHEMBL4431010 | 0.85 | TSHR (0.93) | TSHRCA1CA12CA2CA9 | |
| SCHEMBL1278490 | 0.85 | — | — | |
| Methyl Alcohol SCHEMBL584909 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL5086843 | 0.85 | — | — | |
| SCHEMBL3495565 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL2107550 | 0.85 | — | — | |
| Water SCHEMBL1289230 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2396314-A1 | PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS | AstraZeneca AB (SE) | 2011-12-21 | — | — | EP | disclosed |
| EP-2396317-A1 | CRYSTALLINE POLYMORPHIC FORM 631 | AstraZeneca AB (SE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010092387-A1 | PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS | ASTRAZENECA AB (SE) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010092386-A1 | CRYSTALLINE POLYMORPHIC FORM 631 | ASTRAZENECA AB (SE) | 2010-08-19 | — | — | WO | disclosed |