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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 SCHEMBL8433139 | 1.00 | CES1 (0.54) | CES1CES2MAPTTSHRSMN1; SMN2 | |
| Bicarbonate SCHEMBL9637203 | 1.00 | CES1 (0.54) | CES1CES2MAPTTSHRSMN1; SMN2 | |
| Acetic Acid SCHEMBL28207460 | 0.95 | CES1 (0.54) | CES1CES2MAPTTSHRSMN1; SMN2 | |
| Acetone SCHEMBL28812412 | 0.95 | CES1 (0.54) | CES1CES2MAPTTSHRSMN1; SMN2 | |
| SCHEMBL472891 | 0.92 | CES2 (0.48) | CES1CES2MAPTTSHRSMN1; SMN2 | |
| SCHEMBL2905282 | 0.92 | — | — | |
| SCHEMBL6577 | 0.92 | — | — | |
| SCHEMBL1331472 | 0.92 | — | — | |
| Hydrogen Peroxide SCHEMBL7249472 | 0.92 | CES2 (0.48) | CES1CES2MAPTTSHRSMN1; SMN2 | |
| Benzene SCHEMBL28197619 | 0.92 | CES2 (0.48) | CES1CES2MAPTTSHRSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0303734-B1 | LUBRICANT AND METHOD FOR COLD DEFORMING METALLIC MATERIALS | ECOFORM Umformtechnik GmbH (DE) | 1992-07-15 | — | — | EP | claimed |
| EP-0303734-B1 | LUBRICANT AND METHOD FOR COLD DEFORMING METALLIC MATERIALS | ECOFORM Umformtechnik GmbH (DE) | 1992-07-15 | — | — | EP | disclosed |
| EP-0303734-A2 | Lubricant and method for cold deforming metallic materials | ECOFORM Umformtechnik GmbH (DE) | 1989-02-22 | — | — | EP | disclosed |