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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL624784 | 0.91 | CA1 (0.54) | CA1CA2ACE2GPR84FFAR1 | |
| Bicarbonate SCHEMBL6814371 | 0.91 | CA1 (0.52) | CA1CA2ACE2GPR84FFAR1 | |
| Bicarbonate SCHEMBL28065295 | 0.86 | CA1 (0.48) | CA1CA2ACE2GPR84MAPK1 | |
| SCHEMBL16107859 | 0.85 | CA1 (0.48) | CA1CA2GPR84CES2CES1 | |
| Trifluoroacetic Acid SCHEMBL3773331 | 0.84 | FAAH (0.47) | CA1CA2MAPTCES2CES1 | |
| Trifluoroacetic Acid SCHEMBL3785764 | 0.84 | FAAH (0.47) | CA1CA2MAPTCES2CES1 | |
| Bicarbonate SCHEMBL9619217 | 0.83 | CA1 (0.54) | CA1CA2CES2CES1MAPK1 | |
| SCHEMBL30354417 | 0.83 | DNM1 (0.58) | MEN1FAAHMAPK1KMT2A | |
| SCHEMBL29702655 | 0.83 | DNM1 (0.58) | MEN1FAAHMAPK1KMT2A | |
| SCHEMBL30341088 | 0.83 | DNM1 (0.58) | MEN1FAAHMAPK1KMT2A |
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-0999206-B1 | Process for producing alpha cyano acetic acid esters | BASF AG (DE) | 2002-09-18 | — | — | EP | disclosed |
| EP-0999206-A1 | Process for producing alpha cyano acetic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |