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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 SCHEMBL507830 | 0.87 | FFAR3 (0.44) | ACHELDHALDHBTDP1CYP2C19 | |
| Urea SCHEMBL510262 | 0.86 | LMNA (0.43) | ACHEALDH1A1TDP1LMNAOR51E2 | |
| SCHEMBL215024 | 0.84 | — | — | |
| Water SCHEMBL5014877 | 0.81 | — | — | |
| SCHEMBL28150654 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL442651 | 0.81 | — | — | |
| Bicarbonate SCHEMBL10523882 | 0.80 | NOS2 (0.38) | ACHECA1CA2CA9LDHA | |
| Trifluoroacetic Acid SCHEMBL507695 | 0.80 | KLK1 (0.30) | ACHENOS1NOS2 | |
| Nitrous Acid SCHEMBL687168 | 0.79 | — | — | |
| Guanidine SCHEMBL1319550 | 0.76 | ACHE (0.55) | ACHECA1CA2CA9LDHA |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105777587-B | N- nitro Trinitroethyls carbamate ion salt containing energy, preparation method and application | 中国科学院上海有机化学研究所 | 2018-06-26 | — | — | CN | claimed |
| EP-1242471-B1 | SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-02-29 | — | — | EP | claimed |
| US-7942990-B2 | Includes a pressurized gas and a solid gas generating agent that generates a combustion gas,the solid gas generating agent including at least an oxidizing agent and a binder, the pressurized gas including 15 mol % or more of oxygen; airbag system of an automobile | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2011-05-17 | — | — | US | claimed |
| US-20080286165-A1 | Guanidine Based Composition and System for Same | GRAUPNER ROBERT K | 2008-11-20 | — | — | US | claimed |
| EP-1742871-A2 | GUANIDINE BASED COMPOSITION AND SYSTEM FOR SAME | Graupner, Robert K. (US) | 2007-01-17 | — | — | EP | claimed |
| WO-2005108289-A2 | GUANIDINE BASED COMPOSITION AND SYSTEM FOR SAME | GRAUPNER ROBERT K (US) | 2005-11-17 | — | — | WO | claimed |
| EP-0950647-B1 | Gas generating composition for air bag | DAICEL CHEM (JP) | 2003-04-09 | — | — | EP | claimed |
| US-6468369-B1 | GUANIDINE DERIVATIVE, PHASE STABILIZED AMMONIUM NITRATE AND SILICON COMPOUND; IMPROVED COMBUSTION BEHAVIOR, ENHANCED HANDLING SAFETY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-22 | — | — | US | claimed |
| EP-0950647-A1 | Gas generating composition for air bag | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-20 | — | — | EP | claimed |
| CN-105777587-B | N- nitro Trinitroethyls carbamate ion salt containing energy, preparation method and application | 中国科学院上海有机化学研究所 | 2018-06-26 | — | — | CN | disclosed |
| EP-1935863-B1 | Hybrid inflator | DAICEL CHEM (JP) | 2018-03-14 | — | — | EP | disclosed |
| CN-107075175-A | modified rubber, rubber composition and tire | 三菱瓦斯化学株式会社 | 2017-08-18 | — | — | CN | disclosed |
| CN-105777587-A | N-nitrotrinitroethyl carbamate energetic ionic salt and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-07-20 | — | — | CN | disclosed |
| US-20120261040-A1 | GAS-GENERATING AGENT COMPOSITION | DAICEL CORPORATION (JP) | 2012-10-18 | — | — | US | disclosed |
| CN-1376120-A | Hybrid inflator | DAICEL CHEM (JP) | 2002-10-23 | — | — | CN | disclosed |
| US-6468369-B1 | GUANIDINE DERIVATIVE, PHASE STABILIZED AMMONIUM NITRATE AND SILICON COMPOUND; IMPROVED COMBUSTION BEHAVIOR, ENHANCED HANDLING SAFETY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-22 | — | — | US | disclosed |
| EP-1236625-A1 | HYBRID INFLATOR | Daicel Chemical Industries, Ltd. (JP) | 2002-09-04 | — | — | EP | disclosed |
| EP-1216897-A1 | HYBRID INFLATOR | Daicel Chemical Industries, Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |
| EP-1190919-A1 | MULTI-STAGE EXPANSION TYPE HYBRID INFLATOR | Daicel Chemical Industries, Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| EP-0950647-A1 | Gas generating composition for air bag | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-20 | — | — | EP | disclosed |