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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9658182 | 0.87 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2ALDH1A1TP53HIF1A | |
| Bicarbonate SCHEMBL10805236 | 0.87 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2ALDH1A1TP53HIF1A | |
| Bicarbonate SCHEMBL27897261 | 0.87 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2ALDH1A1TP53HIF1A | |
| SCHEMBL9805270 | 0.85 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2ALDH1A1TP53MAPK1 | |
| Ether SCHEMBL15411955 | 0.85 | TDP1 (0.39) | CYP3A4SMN1; SMN2ALDH1A1TP53MAPK1 | |
| Bicarbonate SCHEMBL15411958 | 0.83 | CYP3A4 (0.42) | CYP3A4SMN1; SMN2ALDH1A1TP53MAPK1 | |
| SCHEMBL9928 | 0.82 | CYP3A4 (0.48) | CYP3A4SMN1; SMN2ALDH1A1TP53HIF1A | |
| Ethylene Glycol SCHEMBL1237379 | 0.80 | CYP3A4 (0.43) | CYP3A4SMN1; SMN2ALDH1A1TP53MAPK1 | |
| Allyl Alcohol SCHEMBL28097934 | 0.80 | TSHR (0.47) | CYP3A4SMN1; SMN2ALDH1A1TP53MAPK1 | |
| Hydrochloric Acid SCHEMBL6485439 | 0.79 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2ALDH1A1TP53HIF1A |
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-4501905-A | Cyclic carbonic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1985-02-26 | — | — | US | disclosed |
| US-4440937-A | Cyclic carbonic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | disclosed |