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 | 3/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.77 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 SCHEMBL988120 | 1.00 | ALDH1A1 (0.77) | ALDH1A1KDM4ETDP1ALPLPOLB | |
| Oxalic Acid SCHEMBL153609 | 0.93 | ALDH1A1 (0.74) | ALDH1A1KDM4ETDP1ALPLPOLB | |
| Acetic Acid SCHEMBL27705675 | 0.93 | ALDH1A1 (0.74) | ALDH1A1KDM4ETDP1ALPLPOLB | |
| Bicarbonate SCHEMBL988121 | 0.91 | ALDH1A1 (0.71) | ALDH1A1KDM4ETDP1ALPLPOLB | |
| Bicarbonate SCHEMBL988119 | 0.91 | ALDH1A1 (0.71) | ALDH1A1KDM4ETDP1ALPLPOLB | |
| Methyl Alcohol SCHEMBL5528692 | 0.90 | TDP1 (0.85) | ALDH1A1KDM4ETDP1ALPLPOLB | |
| SCHEMBL1484108 | 0.90 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| SCHEMBL28168 | 0.90 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Hydrogen Sulfide SCHEMBL5998720 | 0.90 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Oxalic Acid SCHEMBL153608 | 0.89 | ALDH1A1 (0.68) | ALDH1A1KDM4ETDP1ALPLPOLB |
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-110741029-B | Method for producing polymer compound | 住友化学株式会社 | 2023-07-07 | — | — | CN | disclosed |