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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12075825 | 0.87 | — | — | |
| SCHEMBL533334 | 0.87 | — | — | |
| Alcohol SCHEMBL28863427 | 0.85 | TSHR (0.50) | TSHRALDH1A1 | |
| Isopropyl Alcohol SCHEMBL28178844 | 0.85 | TSHR (0.50) | TSHRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27338720 | 0.85 | — | — | |
| SCHEMBL28602345 | 0.81 | CHRM1 (0.61) | TSHRCHRM1AKR1A1CHRM3HTR2A | |
| Methacrylic Acid SCHEMBL28218411 | 0.81 | TSHR (0.35) | TSHRCHRM1AKR1A1CHRM3HTR2A | |
| Bicarbonate SCHEMBL29280957 | 0.80 | TSHR (0.39) | TSHRCTSSCTSK | |
| Ethyl Acetate SCHEMBL28171288 | 0.80 | ALDH1A1 (0.52) | TSHRALDH1A1 | |
| SCHEMBL28602529 | 0.77 | CHRM1 (0.56) | TSHRCHRM1AKR1A1CHRM3HTR2A |
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-1049681-A1 | AZOIC COMPOUNDS FUNCTIONALIZED WITH HETEROCYCLES | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037629-A1 | AZOIC COMPOUNDS FUNCTIONALIZED WITH HETEROCYCLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |