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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
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 SCHEMBL1720129 | 0.85 | NPC1 (0.48) | CYP2C9CYP3A4CYP2C19ESR2SLC18A3 | |
| SCHEMBL14097855 | 0.84 | ESR2 (0.46) | CYP2C9APPCYP3A4CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL9685458 | 0.81 | SLC18A3 (0.53) | CYP2C19SLC18A3TP53SMN1; SMN2NPC1 | |
| SCHEMBL4601341 | 0.79 | ESR2 (0.45) | CYP2C9APPCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20800805 | 0.79 | ESR2 (0.41) | CYP2C9APPCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7143697 | 0.79 | ESR2 (0.47) | CYP2C9APPCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL19868748 | 0.77 | ESR2 (0.46) | CYP2C9CYP3A4CYP2C19ESR2SLC18A3 | |
| SCHEMBL3148250 | 0.77 | ESR2 (0.75) | CYP2C9CYP3A4CYP2D6ESR2ESR1 | |
| SCHEMBL2941705 | 0.76 | SMN1; SMN2 (0.59) | ESR2SMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL11282272 | 0.76 | SLC18A3 (0.51) | CYP2C9CYP3A4CYP2C19SLC18A3TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0485929-A1 | Substituted azoles, process for their preparation and their application | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-20 | — | — | EP | disclosed |