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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 5/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.34 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 2/20 | 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 SCHEMBL30869352 | 0.93 | ALDH1A1 (0.37) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL30869363 | 0.91 | CHRM5 (0.38) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| Bicarbonate SCHEMBL5072374 | 0.87 | ALDH1A1 (0.39) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| Methoxyacetic Acid SCHEMBL17418848 | 0.87 | BBOX1 (0.35) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| Bicarbonate SCHEMBL717353 | 0.85 | BBOX1 (0.35) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL26428507 | 0.84 | BBOX1 (0.36) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL12583479 | 0.84 | HTT (0.32) | LMNA | |
| Bicarbonate SCHEMBL30869368 | 0.83 | ALDH1A1 (0.31) | ALDH1A1 | |
| Acetic Acid SCHEMBL2761986 | 0.82 | BBOX1 (0.48) | BBOX1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL30869321 | 0.82 | CHRM2 (0.32) | CHRM5CHRM1CHRM3CHRM2CHRM4 |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293673-B2 | Process for preparing 4-aminodiphenylamine | JIANGSU SINORGCHEM TECHNOLOGY CO., LTD. (CN) | 2012-10-23 | — | — | US | claimed |
| EP-1645555-B1 | A METHOD FOR PRODUCING 4-AMINODIPHENYLAMINE | JIANGSU SINORGCHEM TECH CO LTD (CN) | 2011-09-28 | — | — | EP | claimed |
| 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-7235694-B2 | Reacting nitrobenzene and aniline in presence of a powdery complex base catalyst to perform condensation, hydrogenation, separation and refining; reuse the catalyst; tetraalkyl ammonium hydroxide and a tetraalkyl ammonium salt | SINORGCHEM CO., SHANDONG (CN) | 2007-06-26 | — | — | US | claimed |
| US-7176333-B2 | Process for preparing 4-aminodiphenylamine | SINORGCHEM COMPANY, SHANDONG (CN) | 2007-02-13 | — | — | 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 |
| EP-1645555-A1 | A METHOD FOR PRODUCING 4-AMINODIPHENYLAMINE | Shi, Guangqiang (CN) | 2006-04-12 | — | — | EP | claimed |
| EP-1591438-A1 | A PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | Wang, Nongyue (CN) | 2005-11-02 | — | — | EP | 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-20050065376-A1 | Process for preparing 4-aminodiphenylamine | GUANGQIANG SHI AND NONGYUE WANG (CN) | 2005-03-24 | — | — | US | claimed |
| US-9029603-B2 | Process for preparing alkylated p-phenylenediamines | JIANGSU SINORGCHEM TECHNOLOGY CO., LTD. (CN) | 2015-05-12 | — | — | US | disclosed |
| US-20130066113-A1 | PROCESS FOR PREPARING ALKYLATED P-PHENYLENEDIAMINES | JIANGSU SINORGCHEM TECHNOLOGY CO., LTD. (CN) | 2013-03-14 | — | — | US | disclosed |
| US-8293673-B2 | Process for preparing 4-aminodiphenylamine | JIANGSU SINORGCHEM TECHNOLOGY CO., LTD. (CN) | 2012-10-23 | — | — | US | disclosed |
| US-20120053367-A1 | PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | JIANGSU SINORGCHEM TECHNOLOGY CO., LTD. (CN) | 2012-03-01 | — | — | 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 |
| EP-1645555-A1 | A METHOD FOR PRODUCING 4-AMINODIPHENYLAMINE | Shi, Guangqiang (CN) | 2006-04-12 | — | — | EP | disclosed |
| EP-1591438-A1 | A PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE | Wang, Nongyue (CN) | 2005-11-02 | — | — | EP | 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 |
| US-20050065376-A1 | Process for preparing 4-aminodiphenylamine | GUANGQIANG SHI AND NONGYUE WANG (CN) | 2005-03-24 | — | — | US | disclosed |