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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 6/20 | 0.55 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 SCHEMBL7997152 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL538792 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL9135671 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL11307248 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL285297 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL15420047 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL11316678 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL19347055 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL9481330 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 | |
| Bicarbonate SCHEMBL10592361 | 1.00 | CA1 (0.56) | CA1CA2CA9CA4FAHD1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0951438-A4 | GRANULAR N-ALKYL AMMONIUM ACETONITRILE COMPOSITIONS | CLOROX CO (US) | 2002-08-14 | — | — | EP | disclosed |
| EP-0948455-A4 | MIXED PEROXYGEN ACTIVATOR COMPOSITIONS | CLOROX CO (US) | 2002-03-13 | — | — | EP | disclosed |
| EP-1036070-A4 | N-ALKYL AMMONIUM ACETONITRILE SALTS, METHODS THEREFOR AND COMPOSITIONS THEREWITH | CLOROX CO (US) | 2001-01-31 | — | — | EP | disclosed |
| EP-1036070-A1 | N-ALKYL AMMONIUM ACETONITRILE SALTS, METHODS THEREFOR AND COMPOSITIONS THEREWITH | The Clorox Company (US) | 2000-09-20 | — | — | EP | disclosed |
| EP-0944609-A4 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | CLOROX CO (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0951438-A1 | GRANULAR N-ALKYL AMMONIUM ACETONITRILE COMPOSITIONS | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-27 | — | — | EP | disclosed |
| EP-0948455-A1 | MIXED PEROXYGEN ACTIVATOR COMPOSITIONS | The Clorox Company (US) | 1999-10-13 | — | — | EP | disclosed |
| EP-0944609-A1 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | The Clorox Company (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023534-A1 | MIXED PEROXYGEN ACTIVATOR COMPOSITIONS | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| WO-1998023531-A1 | GRANULAR N-ALKYL AMMONIUM ACETONITRILE COMPOSITIONS | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| WO-1998023601-A1 | PROCESS FOR PREPARING N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |
| WO-1998023602-A1 | N-ALKYL AMMONIUM ACETONITRILE SALTS, METHODS THEREFOR AND COMPOSITIONS THEREWITH | THE CLOROX COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |