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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL5064974 | 0.90 | FFAR3 (0.47) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Butane SCHEMBL10901195 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Butane SCHEMBL9442813 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Alcohol SCHEMBL28609132 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Butane SCHEMBL5064963 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Butane SCHEMBL8822263 | 0.86 | FFAR3 (0.50) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Bicarbonate SCHEMBL2217045 | 0.84 | CA1 (0.50) | FFAR3ALDH1A1CA1CA2CA9 | |
| Propane SCHEMBL591923 | 0.83 | FFAR3 (0.47) | FFAR3ALDH1A1TDP1SOAT1HDAC3 | |
| Bicarbonate SCHEMBL27686758 | 0.81 | CA1 (0.46) | FFAR3ALDH1A1CA1CA2CA9 | |
| Bicarbonate SCHEMBL28097261 | 0.81 | CA1 (0.46) | FFAR3ALDH1A1CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0461500-A2 | Coating and its use for coating heat resistant substrates | BAYER AG (DE) | 1991-12-18 | — | — | EP | disclosed |