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 | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | ALPG | P10696 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 SCHEMBL7581612 | 0.96 | ALPL (0.53) | ALPLPOLBALPGNPC1RAB9A | |
| Oxalic Acid SCHEMBL1050393 | 0.94 | ALPL (0.52) | ALPLPOLBALPGNPC1RAB9A | |
| Acetic Acid SCHEMBL8664510 | 0.94 | ALPL (0.52) | ALPLPOLBALPGNPC1RAB9A | |
| Benzoic Acid SCHEMBL11538206 | 0.88 | CA2 (0.57) | ALPLPOLBALPGNPC1RAB9A | |
| SCHEMBL17438433 | 0.88 | NPC1 (0.49) | ALPLPOLBALPGNPC1RAB9A | |
| SCHEMBL239595 | 0.84 | ALPL (0.44) | ALPLPOLBALPGNPC1RAB9A | |
| SCHEMBL17438432 | 0.84 | MMP8 (0.48) | ALPLPOLBALPGNPC1RAB9A | |
| SCHEMBL486540 | 0.84 | NPC1 (0.45) | ALPLPOLBALPGNPC1RAB9A | |
| SCHEMBL9752209 | 0.84 | SIGMAR1 (0.54) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| Fluoride Ion SCHEMBL4615583 | 0.84 | SIGMAR1 (0.54) | TRPA1SLC6A2TAAR1MAOASLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999206-B1 | Process for producing alpha cyano acetic acid esters | BASF AG (DE) | 2002-09-18 | — | — | EP | disclosed |
| US-6130347-A | REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| EP-0999206-A1 | Process for producing alpha cyano acetic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |