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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 SCHEMBL7103163 | 1.00 | EPHX1 (0.50) | EPHX1F2PLGPRSS1PRSS2 | |
| SCHEMBL19033004 | 0.92 | EPHX1 (0.47) | EPHX1F2PLGPRSS1PRSS2 | |
| SCHEMBL348519 | 0.92 | EPHX1 (0.47) | EPHX1F2PLGPRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL9960143 | 0.90 | EPHX1 (0.45) | EPHX1F2PLGPRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL9960141 | 0.90 | EPHX1 (0.45) | EPHX1F2PLGPRSS1PRSS2 | |
| Acetic Acid SCHEMBL28363861 | 0.85 | POLB (0.39) | EPHX1F2PLGPRSS1PRSS2 | |
| SCHEMBL1588520 | 0.80 | — | — | |
| SCHEMBL20075958 | 0.80 | NOS2 (0.38) | EPHX1RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3623543 | 0.79 | EPHX1 (0.57) | EPHX1F2PLGPRSS1PRSS2 | |
| SCHEMBL28310343 | 0.79 | EPHX1 (0.57) | EPHX1F2PLGPRSS1PRSS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1449828-B1 | Guanidinomethyl cyclohexane carboxylic acid ester derivatives | NAGASE CHEMTEX CORP (JP) | 2007-04-18 | — | — | EP | claimed |
| EP-0193965-B1 | NOVEL GUANIDINOMETHYLCYCLOHEXANCARBOXYLIC ACID COMPOUNDS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KANEBO, LTD. (JP) | 1988-11-30 | — | — | EP | claimed |