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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | DRD4 | P21917 | 6/20 | 0.44 |
| ▸ | DRD3 | P35462 | 6/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6084492 | 0.92 | CA2 (0.59) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL430983 | 0.92 | CA2 (0.59) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL1383106 | 0.92 | CA2 (0.59) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| Maleic Acid SCHEMBL6086191 | 0.91 | CA2 (0.51) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| Fumaric Acid SCHEMBL6086194 | 0.91 | CA2 (0.51) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3487482 | 0.90 | CA2 (0.57) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL6085529 | 0.90 | CA2 (0.57) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL1567100 | 0.83 | CA2 (0.54) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL16428909 | 0.83 | CA2 (0.54) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL15211143 | 0.83 | CA2 (0.54) | CA2HTR1ASIGMAR1ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-7045629-B2 | Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane | MERCK PATENT GMBH (DE) | 2006-05-16 | — | — | US | disclosed |
| US-20040138266-A1 | Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane | MERCK PATENT GMBH (DE) | 2004-07-15 | — | — | 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-20040138266-A1 | Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane | PAH, HPD, CYP3A43 | CA2 28/4885HTR1A 227/4885SIGMAR1 4105/4885 |
“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.