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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 SCHEMBL1627199 | 1.00 | TSHR (0.42) | TSHRTP53CA1CA2CA9 | |
| Hydrogen Peroxide SCHEMBL28403802 | 0.88 | ALDH1A1 (0.33) | TSHRTP53CA1CA2CA9 | |
| SCHEMBL1627200 | 0.83 | TSHR (0.36) | TSHRTP53HCAR2ALDH1A1KMT2A | |
| SCHEMBL45125 | 0.78 | — | — | |
| Bicarbonate SCHEMBL28488934 | 0.77 | TSHR (0.42) | TSHRTP53CA1CA2CA9 | |
| Bicarbonate SCHEMBL700909 | 0.77 | TSHR (0.42) | TSHRTP53CA1CA2CA9 | |
| Bicarbonate SCHEMBL95011 | 0.77 | TSHR (0.42) | TSHRTP53CA1CA2CA9 | |
| SCHEMBL28532897 | 0.76 | TP53 (0.36) | TSHRTP53HCAR2SLC7A5 | |
| SCHEMBL8980007 | 0.76 | — | — | |
| Benzene SCHEMBL471823 | 0.75 | ALDH1A1 (0.32) | ALDH1A1 |
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 471 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108484814-A | A kind of hydrophilicity kynoar resin | 浙江衢州巨塑化工有限公司 | 2018-09-04 | — | — | CN | claimed |
| CN-108467451-A | A kind of preparation method of hydrophilicity kynoar resin | 浙江衢州巨塑化工有限公司 | 2018-08-31 | — | — | CN | claimed |
| CN-107142034-A | A kind of heat conduction pressure sensitive adhesive and preparation method that graphene is peeled off comprising physics | 北京化工大学 | 2017-09-08 | — | — | CN | claimed |
| CN-106977803-A | Wear-resisting double-wall corrugated pipe of a kind of inwall and preparation method thereof | 浙江伟星新型建材股份有限公司 | 2017-07-25 | — | — | CN | claimed |
| CN-104311982-B | A kind of room temperature silane self-crosslinking POE flexible pipe and preparation method thereof | 浙江伟星新型建材股份有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-105129793-A | Composite asphalt resin spherical active carbons with magnetism and preparation method thereof | ANHUI CHENGFANG NEW MATERIAL TECHNOLOGY CO LTD | 2015-12-09 | — | — | CN | claimed |
| CN-105129794-A | Nano cotton adsorption-reinforced composite spherical activated carbon and preparation method thereof | ANHUI CHENGFANG NEW MATERIAL TECHNOLOGY CO LTD | 2015-12-09 | — | — | CN | claimed |
| CN-105051086-A | Active polymer polyols and a process for their production | BAYER MATERIALSCIENCE LLC | 2015-11-11 | — | — | CN | claimed |
| EP-1568727-B1 | Process for production of polymer polyols | BAYER MATERIALSCIENCE LLC (US) | 2015-03-25 | — | — | EP | claimed |
| US-8987396-B2 | Active polymer polyols and a process for their production | BAYER MATERIALSCIENCE LLC (US) | 2015-03-24 | — | — | US | claimed |
| CN-104311982-A | Room-temperature silane self-crosslinking POE hose and preparation method thereof | ZHEJIANG WEIXING NEW BUILDING MATERIALS CO LTD | 2015-01-28 | — | — | CN | claimed |
| CN-102414947-B | Kit for electrical wire water-sealing material, electrical wire water-sealing material, water-sealing member, water-sealed electrical wire, and water-sealing method | JSR CORP | 2015-01-21 | — | — | CN | claimed |
| US-8877863-B2 | Process for production of polymer polyols | BAYER MATERIALSCIENCE LLC (US) | 2014-11-04 | — | — | US | claimed |
| US-20140275471-A1 | ACTIVE POLYMER POLYOLS AND A PROCESS FOR THEIR PRODUCTION | COVESTRO LLC | 2014-09-18 | — | — | US | claimed |
| US-20130261207-A1 | PROCESS FOR PRODUCTION OF POLYMER POLYOLS | BAYER MATERIALSCIENCE LLC (US) | 2013-10-03 | — | — | US | claimed |
| US-8470927-B2 | Stable, low viscosity, easy handling; raw material for high speed, large volume polyurethane foam production; continuous, simultaneous alkoxylation and polymerization of starter compound having active hydrogen atoms and unsaturated monomers; double metal cyanide catalyst and free radical initiator | BAYER MATERIALSCIENCE LLC (US) | 2013-06-25 | — | — | US | claimed |
| US-20050192369-A1 | Process for production of polymer polyols | COVESTRO LLC | 2005-09-01 | — | — | US | claimed |
| EP-1568727-A1 | Process for production of polymer polyols | Bayer MaterialScience LLC (US) | 2005-08-31 | — | — | EP | claimed |
| EP-0080338-B1 | POLYMERIZATION OF POLYOL (ALLYL CARBONATE) USING POLYMERIZATION INITIATORS OF SHORT AND LONG HALF LIVES | PPG INDUSTRIES, INC. (US) | 1986-05-07 | — | — | EP | claimed |
| US-4006126-A | Process for the chlorination of vinyl polymers | MONTECATINI EDISON S.P.A. (IT) | 1977-02-01 | — | — | US | claimed |