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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 SCHEMBL4853464 | 1.00 | MAOA (0.34) | MAOAMAOBSMN1; SMN2GAAHPGD | |
| Hydrogen Peroxide SCHEMBL15163599 | 0.94 | MAOA (0.38) | MAOAMAOBSMN1; SMN2GAAHTT | |
| Acetic Acid SCHEMBL2194348 | 0.93 | GAA (0.39) | MAOAMAOBSMN1; SMN2GAAHPGD | |
| Acetic Acid SCHEMBL11766149 | 0.91 | GAA (0.38) | MAOAMAOBSMN1; SMN2GAAHPGD | |
| SCHEMBL9209 | 0.90 | MAOA (0.41) | MAOAMAOBSMN1; SMN2GAAHTT | |
| SCHEMBL29434883 | 0.90 | MAOA (0.41) | MAOAMAOBSMN1; SMN2GAAHTT | |
| SCHEMBL1420110 | 0.90 | MAOA (0.41) | MAOAMAOBSMN1; SMN2GAAHTT | |
| SCHEMBL7197365 | 0.90 | MAOA (0.41) | MAOAMAOBSMN1; SMN2GAAHTT | |
| Bicarbonate SCHEMBL8638188 | 0.89 | GAA (0.39) | MAOAMAOBSMN1; SMN2GAAHSD17B3 | |
| Methyl Alcohol SCHEMBL7362934 | 0.88 | MAOA (0.37) | MAOAMAOBSMN1; SMN2GAAHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8021616-B2 | Gas sensor | NGK SPARK PLUG CO., LTD. (JP) | 2011-09-20 | — | — | US | disclosed |
| US-20090214389-A1 | GAS SENSOR | NGK SPARK PLUG CO., LTD. (JP) | 2009-08-27 | — | — | US | disclosed |
| US-6070618-A | High pressure fuel injection pipe and a method of manufacturing the same | USUI KOKUSAI SANGYO KAISHA LIMITED (JP) | 2000-06-06 | — | — | US | disclosed |
| EP-0325954-A2 | Process for the preparation of optically pure hydroxy-substituted benzopyrancarbonic acids and esters | F. HOFFMANN-LA ROCHE AG (CH) | 1989-08-02 | — | — | EP | disclosed |