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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10804456 | 0.84 | ALDH1A1 (0.40) | BIRC2 | |
| SCHEMBL417968 | 0.82 | HTT (0.31) | — | |
| SCHEMBL10800672 | 0.82 | CXCR4 (0.31) | — | |
| SCHEMBL11305147 | 0.81 | OPRD1 (0.31) | — | |
| SCHEMBL11708345 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL4113851 | 0.76 | KEAP1 (0.31) | — | |
| SCHEMBL1840113 | 0.75 | — | — | |
| SCHEMBL10800733 | 0.72 | — | — | |
| SCHEMBL634065 | 0.68 | — | — | |
| SCHEMBL25224263 | 0.63 | BIRC2 (0.49) | BIRC2 |
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-4665177-A | Tetrahydropyrimidines, a process for their production and their use as catalysts in the production of polyurethane plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | disclosed |
| EP-0054876-A1 | Tetrahydropyrimidines, method for their preparation and their use as catalysts in the production of polyurethane plastics | BAYER AG (DE) | 1982-06-30 | — | — | EP | disclosed |