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 | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL10775953 | 0.94 | ACMSD (0.40) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Formic Acid SCHEMBL10775938 | 0.94 | ACMSD (0.40) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Bicarbonate SCHEMBL10962051 | 0.91 | ACMSD (0.49) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Bicarbonate SCHEMBL2907611 | 0.91 | ACMSD (0.49) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Bicarbonate SCHEMBL10441915 | 0.91 | ACMSD (0.49) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Formic Acid SCHEMBL29845943 | 0.91 | ACMSD (0.41) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Acrylic Acid SCHEMBL7646184 | 0.82 | ACMSD (0.42) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Acrylic Acid SCHEMBL29117592 | 0.82 | ACMSD (0.42) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| Acrylic Acid SCHEMBL7646179 | 0.82 | ACMSD (0.42) | ACMSDHDAC2HDAC4HDAC8HDAC6 | |
| SCHEMBL10752335 | 0.80 | ACMSD (0.43) | ACMSDHDAC2HDAC4HDAC8HDAC6 |
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-4608194-A | MONOCARBONATES; PERFUMES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1986-08-26 | — | — | US | claimed |