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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP12 | P39900 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1462698 | 0.97 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL10874421 | 0.97 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL121265 | 0.97 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL11593530 | 0.97 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL7980877 | 0.97 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL1463411 | 0.97 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL11847366 | 0.95 | EPHX1 (0.50) | EPHX1CA12CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL8911029 | 0.95 | EPHX1 (0.50) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL235214 | 0.95 | — | — | |
| Ethylene SCHEMBL701500 | 0.92 | EPHX1 (0.48) | EPHX1CA12CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2693876-A1 | SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS | Sphaera Pharma Pte. Ltd (SG) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012137225-A1 | SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS | SPHAERA PHARMA PVT. LTD (IN) | 2012-10-11 | — | — | WO | disclosed |