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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | CA2 | P00918 | 6/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 3/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL672097 | 0.96 | CA1 (0.58) | CA1CA2CA12CA9ALOX15 | |
| Hydrochloric Acid SCHEMBL1242368 | 0.94 | CA1 (0.56) | CA1CA2CA12CA9ALOX15 | |
| Pyruvate SCHEMBL4586594 | 0.91 | CA1 (0.50) | CA1CA2CA12CA9ALOX15 | |
| Butanedione SCHEMBL17913120 | 0.91 | CA1 (0.53) | CA1CA2CA12CA9ALOX15 | |
| Sulfuric Acid SCHEMBL2396292 | 0.89 | CA1 (0.51) | CA1CA2CA12CA9ALOX15 | |
| SCHEMBL19152428 | 0.84 | CA1 (0.42) | CA1CA2CA12CA9ALOX15 | |
| Malic Acid SCHEMBL31238937 | 0.83 | CA12 (0.43) | CA1CA2CA12CA9ALOX15 | |
| SCHEMBL4098848 | 0.81 | CA1 (0.42) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL4586999 | 0.80 | CA12 (0.62) | CA1CA2CA12CA9ALOX15 | |
| SCHEMBL4589521 | 0.79 | NAAA (0.43) | CA1CA2CA12CA9ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119039184-A | Creatine ethyl ester carbonate, preparation method thereof and creatine supplement | 中美华世通生物医药科技(武汉)股份有限公司 | 2024-11-29 | — | — | CN | claimed |
| CN-119039184-A | Creatine ethyl ester carbonate, preparation method thereof and creatine supplement | 中美华世通生物医药科技(武汉)股份有限公司 | 2024-11-29 | — | — | CN | disclosed |
| CN-119039184-A | Creatine ethyl ester carbonate, preparation method thereof and creatine supplement | 中美华世通生物医药科技(武汉)股份有限公司 | 2024-11-29 | — | — | CN | disclosed |
| CN-119039184-A | Creatine ethyl ester carbonate, preparation method thereof and creatine supplement | 中美华世通生物医药科技(武汉)股份有限公司 | 2024-11-29 | — | — | CN | disclosed |
| US-8466198-B2 | Compositions comprising creatine salts and methods of use thereof | KNELLER BRUCE (US) | 2013-06-18 | — | — | US | disclosed |
| US-20080319076-A1 | COMPOSITIONS COMPRISING CREATINE SALTS AND METHODS OF USE THEREOF | KNELLER BRUCE | 2008-12-25 | — | — | US | disclosed |