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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1275819 | 0.96 | TP53 (0.36) | TP53HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL167278 | 0.96 | TP53 (0.36) | TP53HMGCRCHRM1TBXA2RADRA1A | |
| Bicarbonate SCHEMBL28372058 | 0.92 | HMGCR (0.39) | TP53HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL259423 | 0.82 | TSHR (0.42) | MAPK1TSHR | |
| 1-Hexanol SCHEMBL5140210 | 0.81 | LMNA (0.41) | CA2MAPK1ALDH1A1TSHR | |
| Benzoic Acid SCHEMBL28354560 | 0.80 | DAO (0.42) | ALDH1A1TSHR | |
| Acrylic Acid SCHEMBL28471649 | 0.78 | LMNA (0.39) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| Methacrylic Acid SCHEMBL9844922 | 0.78 | TET2 (0.42) | HMGCRCHRM1TBXA2RADRA1ATET2 | |
| Butyric Acid SCHEMBL29060601 | 0.78 | FFAR3 (0.50) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| Methacrylic Acid SCHEMBL27540002 | 0.78 | TET2 (0.42) | HMGCRCHRM1TBXA2RADRA1ATET2 |
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-106457741-A | Actinic radiation cured polyurethane coatings for decorative surface coverings | 塔吉特GDL公司 | 2017-02-22 | — | — | CN | disclosed |