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 | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.84 |
| ▸ | HTR7 | P34969 | 4/20 | 0.58 |
| ▸ | HTR1A | P08908 | 3/20 | 0.58 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.58 |
| ▸ | HTR3B | O95264 | 2/20 | 0.58 |
| ▸ | HTR3A | P46098 | 2/20 | 0.58 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.58 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | HTR6 | P50406 | 2/20 | 0.58 |
| ▸ | HTR2C | P28335 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL29391951 | 0.92 | ADRB1 (1.00) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| SCHEMBL81365 | 0.92 | ADRB1 (1.00) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| Succinic Acid SCHEMBL7471098 | 0.91 | ADRB1 (0.74) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL6965723 | 0.90 | ADRB1 (0.96) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL314399 | 0.90 | ADRB1 (0.96) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| SCHEMBL234093 | 0.85 | ADRB1 (0.87) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| SCHEMBL5540575 | 0.81 | ADRB1 (0.80) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| SCHEMBL11714795 | 0.81 | ADRB1 (0.72) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| Phenylpiperazine SCHEMBL11621472 | 0.81 | ADRB1 (0.83) | ADRB1HTR7HTR1AHTR3EHTR3B | |
| Bicarbonate SCHEMBL11620170 | 0.80 | ADRB1 (0.81) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-4067982-A | LOWERING BLOOD PRESSURE, ANALGESIC, SEDATIVE, ANTIHISTAMINE | Gulden, Byk (DT) | 1978-01-10 | — | — | US | disclosed |
| US-3957786-A | HYPOTENSIVE AGENTS | BYK GULDEN (DT) | 1976-05-18 | — | — | US | disclosed |