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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 SCHEMBL8962371 | 0.93 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Bicarbonate SCHEMBL28038336 | 0.93 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Acetic Acid SCHEMBL5720121 | 0.93 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| SCHEMBL130071 | 0.93 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| SCHEMBL16781188 | 0.91 | ALDH1A1 (0.54) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Water SCHEMBL2110702 | 0.91 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Hydrochloric Acid SCHEMBL6684620 | 0.91 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Bromide SCHEMBL152743 | 0.91 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Fluoride Ion SCHEMBL6316238 | 0.91 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 | |
| Hydrochloric Acid SCHEMBL21638 | 0.91 | ALDH1A1 (0.54) | ALDH1A1KDM4ETDP1CHRM2CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105188370-A | Microbicidal composition comprising an isothiazolinone and an amine oxide | THOR SPECIALITIES UK LTD | 2015-12-23 | — | — | CN | disclosed |