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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.56 |
| ▸ | 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 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 SCHEMBL11518297 | 1.00 | EPHX1 (0.56) | EPHX1CA12CA1CA2CA9 | |
| Hydrogen Peroxide SCHEMBL28079673 | 0.97 | EPHX1 (0.58) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL37472 | 0.95 | EPHX1 (0.60) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL11589654 | 0.95 | EPHX1 (0.60) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL8991654 | 0.95 | EPHX1 (0.60) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL984315 | 0.95 | EPHX1 (0.60) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL13387598 | 0.95 | EPHX1 (0.60) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL8426647 | 0.95 | EPHX1 (0.60) | EPHX1CA12CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL11651995 | 0.92 | EPHX1 (0.58) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL1080505 | 0.92 | EPHX1 (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232650-A | The manufacture method of active energy ray-curable resin combination, resin forming product and resin forming product | 三菱丽阳株式会社 | 2016-12-14 | — | — | CN | disclosed |