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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3621605 | 0.93 | MAPT (0.56) | MAPTKMT2ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6145 | 0.89 | KCNN4 (0.58) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Bromide SCHEMBL414533 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Methylamine SCHEMBL20916863 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Ammonia Solution, Strong SCHEMBL28009204 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Water SCHEMBL4609376 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Iodide SCHEMBL6672017 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Hydrochloric Acid SCHEMBL8387827 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Bromide SCHEMBL3629993 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 | |
| Fluoride SCHEMBL634655 | 0.87 | KCNN4 (0.55) | MAPTKMT2AKCNN4AKT1AKT2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5516928-A | REACTION OF ISOPHORONE AND HYDROGEN CYANIDE USING QUATERNARY AMMONIUM CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |