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 | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 SCHEMBL31529724 | 1.00 | ABCB11 (0.44) | ABCB11ESR1PGRCHRM2HTR1A | |
| Bicarbonate SCHEMBL23698462 | 1.00 | ABCB11 (0.44) | ABCB11ESR1PGRCHRM2HTR1A | |
| Bicarbonate SCHEMBL23698436 | 1.00 | ABCB11 (0.44) | ABCB11ESR1PGRCHRM2HTR1A | |
| Bicarbonate SCHEMBL23698465 | 1.00 | ABCB11 (0.44) | ABCB11ESR1PGRCHRM2HTR1A | |
| Bicarbonate SCHEMBL28939212 | 0.95 | MEN1 (0.46) | ABCB11ESR1PGRCHRM2HTR1A | |
| Bicarbonate SCHEMBL28733245 | 0.95 | MEN1 (0.46) | ABCB11ESR1PGRCHRM2HTR1A | |
| Acetic Acid SCHEMBL29142258 | 0.94 | MEN1 (0.46) | ABCB11ESR1PGRCHRM2HTR1A | |
| Bicarbonate SCHEMBL23698434 | 0.94 | MEN1 (0.44) | ABCB11ESR1PGRCHRM2HTR1A | |
| Acetic Acid SCHEMBL3143187 | 0.94 | MEN1 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| Acetic Acid SCHEMBL21178431 | 0.94 | MEN1 (0.48) | ABCB11ESR1PGRCHRM2HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268440-B1 | IMIDAZOLE CARBENES | UNIV BELFAST (GB) | 2005-12-07 | — | — | EP | disclosed |
| US-6939974-B2 | Imidazole carbenes | THE QUEENS UNIVERSITY OF BELFAST (GB) | 2005-09-06 | — | — | US | disclosed |
| US-20030186803-A1 | Imidazole carbenes | QUEENS UNIVERSITY OF BELFAST, THE (GB) | 2003-10-02 | — | — | 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-20030186803-A1 | Imidazole carbenes | CYC1, RIN1, GDI1 | ABCB11 2183/4885ESR1 4275/4885PGR 3172/4885 |
“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.