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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4360054 | 0.92 | EPHX1 (0.44) | EPHX1CA12CA1CA2MMP2 | |
| Propionic Acid SCHEMBL7797942 | 0.88 | ALDH1A1 (0.47) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL1692262 | 0.87 | EPHX1 (0.44) | EPHX1CA12CA1CA2MMP2 | |
| Methyl Alcohol SCHEMBL1471449 | 0.86 | SHBG (0.43) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL7739164 | 0.86 | SHBG (0.48) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL5412 | 0.86 | SHBG (0.48) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL21575869 | 0.86 | SHBG (0.48) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL5282 | 0.86 | — | — | |
| Cyclohexane SCHEMBL5321429 | 0.86 | SHBG (0.48) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL3335831 | 0.86 | SHBG (0.48) | EPHX1CA12CA1CA2MMP2 |
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-1765769-B1 | PROCESS FOR THE PREPARATION OF NATEGLINIDE | CIPLA LTD (IN) | 2013-11-06 | — | — | EP | claimed |
| EP-1535900-B1 | Process for the preparation of nateglinide, preferably in b-form | A M S A ANONIMA MATERIE SINT E (IT) | 2006-12-27 | — | — | EP | claimed |
| EP-0814073-B1 | Epimerization of 2- or 4-substituted cyclohexanecarboxylic acids | KATAYAMA SEISAKUSHO (JP) | 2001-09-12 | — | — | EP | claimed |