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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.38 |
| ▸ | TCF7L2 | Q9NQB0 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 SCHEMBL7016951 | 0.91 | PDE5A (0.54) | ESR1PDE5APDE10ACHRM3PDE4A | |
| SCHEMBL8184013 | 0.90 | ESR1 (0.48) | ESR1PDE10ACHRM3PDE4APDE4B | |
| Bicarbonate SCHEMBL7018680 | 0.86 | ESR1 (0.48) | ESR1PDE5APDE10A | |
| Bicarbonate SCHEMBL7020354 | 0.85 | ALDH1A1 (0.50) | ESR1PDE5APDE10ACHRM3PDE4A | |
| Bicarbonate SCHEMBL7013383 | 0.84 | ESR1 (0.44) | ESR1PDE5ASMN1; SMN2KDM4EHPGD | |
| Bicarbonate SCHEMBL7015118 | 0.83 | ESR1 (0.42) | ESR1PDE5APDE10ACHRM3PDE4A | |
| Bicarbonate SCHEMBL7016839 | 0.82 | ESR1 (0.45) | ESR1PDE5A | |
| Bicarbonate SCHEMBL7018741 | 0.82 | KMT2A (0.51) | PDE5ASMN1; SMN2ALDH1A1HPGDNPSR1 | |
| Bicarbonate SCHEMBL7016035 | 0.82 | ALDH1A1 (0.42) | ESR1PDE5ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL23241868 | 0.81 | PDE10A (0.58) | ESR1PDE5APDE10ACHRM3PDE4A |
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-0934321-B1 | THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |