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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.34 |
| ▸ | ARG2 | P78540 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 4/20 | 0.32 |
| ▸ | GABRD | O14764 | 4/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.32 |
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 SCHEMBL1896976 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Acetic Acid SCHEMBL3691254 | 0.90 | FFAR3 (0.44) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| SCHEMBL5574368 | 0.88 | ALDH1A1 (0.40) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Pivalate SCHEMBL4928422 | 0.88 | CYP2D6 (0.41) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Bicarbonate SCHEMBL10697023 | 0.87 | ALDH1A1 (0.38) | ALDH1A1MAPTPTGS1TP53TSHR | |
| Lactic Acid SCHEMBL5570499 | 0.85 | TP53 (0.61) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| Propionic Acid SCHEMBL5573589 | 0.83 | FFAR3 (0.53) | CYP1A2CYP2D6ALDH1A1TSHRARG1 | |
| Trifluoroacetic Acid SCHEMBL20479433 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| SCHEMBL10644198 | 0.83 | DGAT1 (0.36) | CYP1A2CYP2D6ALDH1A1MAPTPTGS1 | |
| SCHEMBL163513 | 0.82 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2501687-B1 | EPOXIDATION OF AN OLEFIN | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-10-15 | — | — | EP | disclosed |
| EP-2501688-B1 | EPOXIDIZING OF PROPYLENE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-10-16 | — | — | EP | disclosed |
| US-8524926-B2 | Epoxidation of an olefin | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120316353-A1 | EPOXIDATION OF AN OLEFIN | BLUE CUBE IP LLC | 2012-12-13 | — | — | US | disclosed |
| EP-2501687-A2 | EPOXIDATION OF AN OLEFIN | Dow Global Technologies LLC (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2501688-A1 | EPOXIDIZING OF PROPYLENE | Dow Global Technologies LLC (US) | 2012-09-26 | — | — | EP | disclosed |
| US-20120226056-A1 | EPOXIDIZING PROPYLENE | CRAMPTON HANNAH L (US) | 2012-09-06 | — | — | US | disclosed |
| WO-2011062608-A2 | EPOXIDATION OF AN OLEFIN | DOW GLOBAL TECHNOLOGIES, INC. (US) | 2011-05-26 | — | — | WO | disclosed |
| WO-2011062609-A1 | EPOXIDIZING OF PROPYLENE | DOW GLOBAL TECHNOLOGIES INC. (US) | 2011-05-26 | — | — | WO | disclosed |
| EP-0269949-A2 | Process for producing a high purity quaternary ammonium hydroxide | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1988-06-08 | — | — | EP | disclosed |