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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.75 |
| ▸ | CA1 | P00915 | 4/20 | 0.60 |
| ▸ | CA2 | P00918 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
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 SCHEMBL2285222 | 1.00 | ACHE (0.75) | ACHECA1CA2LMNANPC1 | |
| Acetic Acid SCHEMBL28408918 | 0.93 | ACHE (0.71) | ACHECA1CA2LMNANPC1 | |
| Methyl Alcohol SCHEMBL20136156 | 0.87 | ACHE (0.88) | ACHECA1CA2LMNANPC1 | |
| Benzene SCHEMBL11242974 | 0.87 | ACHE (0.88) | ACHECA1CA2LMNANPC1 | |
| P-Anisic Acid SCHEMBL9101775 | 0.87 | CA1 (0.83) | ACHECA1CA2NPC1RAB9A | |
| SCHEMBL12464 | 0.87 | — | — | |
| SCHEMBL13925529 | 0.87 | — | — | |
| SCHEMBL19182839 | 0.87 | ACHE (1.00) | ACHECA1CA2LMNANPC1 | |
| SCHEMBL28703900 | 0.86 | ACHE (0.68) | ACHECA1CA2LMNANPC1 | |
| Acetamide SCHEMBL28284147 | 0.86 | ACHE (0.68) | ACHECA1CA2LMNANPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8808964-B2 | Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-08-19 | — | — | US | disclosed |
| US-8778591-B2 | — | — | 2014-07-15 | — | — | US | disclosed |
| US-8703384-B2 | Positive resist composition and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-04-22 | — | — | US | disclosed |
| US-20120135350-A1 | POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |
| US-20120052441-A1 | NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-03-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120052441-A1 | NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS | AHNAK, POLL, NUDC | ACHE 1022/4885CA1 907/4885CA2 186/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.