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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 6/20 | 0.64 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 SCHEMBL28325836 | 0.95 | CA4 (0.55) | CA4FAHD1MEN1LDHABLM | |
| Bicarbonate SCHEMBL2945248 | 0.95 | — | — | |
| Bicarbonate SCHEMBL1924435 | 0.95 | — | — | |
| Bicarbonate SCHEMBL1573936 | 0.95 | CA4 (0.70) | CA4FAHD1MEN1LDHABLM | |
| Bicarbonate SCHEMBL10962533 | 0.95 | CA4 (0.55) | CA4FAHD1MEN1LDHABLM | |
| Bicarbonate SCHEMBL16893405 | 0.90 | — | — | |
| Bicarbonate SCHEMBL5373853 | 0.90 | — | — | |
| Bicarbonate SCHEMBL4386959 | 0.90 | — | — | |
| Bicarbonate SCHEMBL22800564 | 0.90 | CA4 (0.50) | CA4FAHD1MEN1LDHABLM | |
| Bicarbonate SCHEMBL5068676 | 0.90 | — | — |
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-20090099022-A1 | NATURAL HERBICIDE CONTAINING LEMONGRASS ESSENTIAL OIL | MARRONE ORGANIC INNOVATIONS, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| WO-2009049153-A2 | A NATURAL HERBICIDE CONTAINING LEMONGRASS ESSENTIAL OIL | MARRONE ORGANIC INNOVATIONS, INC. (US) | 2009-04-16 | — | — | WO | disclosed |