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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 3/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2664692 | 0.95 | HTR2C (0.60) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| Hydrochloric Acid SCHEMBL6961922 | 0.93 | HTR2C (0.61) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| SCHEMBL17474595 | 0.85 | HTR2C (0.55) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| SCHEMBL15054700 | 0.82 | AKT1 (0.56) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| Bicarbonate SCHEMBL7443967 | 0.80 | MAPT (0.49) | KDM1A | |
| Hydrochloric Acid SCHEMBL6439127 | 0.80 | HTR2C (0.61) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| Hydrochloric Acid SCHEMBL6439125 | 0.80 | HTR2C (0.61) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| SCHEMBL23873173 | 0.79 | HTR2C (0.60) | HTR2CHTR2AHTR2BHTR1AAKT1 | |
| SCHEMBL6041699 | 0.79 | KMO (0.50) | KDM1A | |
| SCHEMBL26115367 | 0.79 | HTR2C (0.60) | HTR2CHTR2AHTR2BHTR1AAKT1 |
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-0863875-A1 | NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY | F. HOFFMANN-LA ROCHE AG (CH) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997009311-A1 | NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-13 | — | — | WO | disclosed |