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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | GGT1 | P19440 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | ARG1 | P05089 | 2/20 | 0.35 |
| ▸ | ARG2 | P78540 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 SCHEMBL8042430 | 1.00 | ALDH1A1 (0.42) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Carbamic Acid SCHEMBL21058277 | 0.90 | ACHE (0.44) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Oxalic Acid SCHEMBL10594364 | 0.90 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Acetic Acid SCHEMBL699536 | 0.90 | FFAR3 (0.44) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Pivalate SCHEMBL4918285 | 0.88 | ALDH1A1 (0.44) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Propionic Acid SCHEMBL5571646 | 0.88 | FFAR3 (0.59) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Acetic Acid SCHEMBL10949299 | 0.88 | FFAR3 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Succinic Acid SCHEMBL13724115 | 0.85 | ALDH1A1 (0.54) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| SCHEMBL4920293 | 0.83 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB | |
| Trifluoroacetic Acid SCHEMBL3424222 | 0.83 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2KMT2ATHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0991626-A2 | PYRIMIDIN-2,4,6-TRION DERIVATIVES, METHOD FOR PRODUCING THE SAME AND MEDICINAL PRODUCTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998058915-A2 | PYRIMIDIN-2,4,6-TRION DERIVATIVES AND THEIR USE AS METALLOPROTEASE-INHIBITORS | ROCHE DIAGNOSTICS GMBH (DE) | 1998-12-30 | — | — | WO | disclosed |