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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 10/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 9/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.36 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
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 SCHEMBL29201343 | 0.88 | CHRM1 (0.46) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL717353 | 0.87 | BBOX1 (0.35) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| SCHEMBL1292844 | 0.86 | — | — | |
| Bicarbonate SCHEMBL5072374 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL29201465 | 0.84 | CHRM1 (0.52) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL30869315 | 0.80 | BBOX1 (0.48) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| SCHEMBL15016189 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| SCHEMBL6745530 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| SCHEMBL15016145 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL29201418 | 0.77 | BBOX1 (0.50) | ALDH1A1CHRM1CHRM3CHRM4CHRM2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1591438-B1 | A PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | SINORGCHEM CO SHANDONG (CN) | 2007-11-21 | — | — | EP | claimed |
| US-20070232832-A1 | PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | SINORGCHEM CO. | 2007-10-04 | — | — | US | claimed |
| US-7084302-B2 | reacting nitrobenzene and aniline in presence of condensation basic catalyst to form mixtures of 4-nitrodiphenylamine and 4-nitrosodiphenylamine, then reacting with hydrogen in the presence of hydrogenation catalysts, separation and refining | SINORGCHEM SHANDONG CO., LTD. (CN) | 2006-08-01 | — | — | US | claimed |
| US-20050240058-A1 | reacting nitrobenzene and aniline in presence of condensation basic catalyst to form mixtures of 4-nitrodiphenylamine and 4-nitrosodiphenylamine, then reacting with hydrogen in the presence of hydrogenation catalysts, separation and refining | NONGYUE WANG AND GUANGQIANG SHI (CN) | 2005-10-27 | — | — | US | claimed |
| US-20080039657-A1 | PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | JIANGSU SINORGCHEM TECHNOLOGY CO., LTD. (CN) | 2008-02-14 | — | — | US | disclosed |
| US-7084302-B2 | reacting nitrobenzene and aniline in presence of condensation basic catalyst to form mixtures of 4-nitrodiphenylamine and 4-nitrosodiphenylamine, then reacting with hydrogen in the presence of hydrogenation catalysts, separation and refining | SINORGCHEM SHANDONG CO., LTD. (CN) | 2006-08-01 | — | — | US | disclosed |
| US-20050240058-A1 | reacting nitrobenzene and aniline in presence of condensation basic catalyst to form mixtures of 4-nitrodiphenylamine and 4-nitrosodiphenylamine, then reacting with hydrogen in the presence of hydrogenation catalysts, separation and refining | NONGYUE WANG AND GUANGQIANG SHI (CN) | 2005-10-27 | — | — | US | disclosed |