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 | 2/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SLC15A2 | Q16348 | 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 SCHEMBL2112775 | 1.00 | — | — | |
| Bicarbonate SCHEMBL29291054 | 1.00 | FFAR3 (0.50) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL8927132 | 0.91 | FFAR3 (0.64) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL22445101 | 0.91 | — | — | |
| Acetic Acid SCHEMBL27766154 | 0.87 | FFAR3 (0.58) | FFAR3LCKFYNCA1CA2 | |
| Acetone SCHEMBL27131366 | 0.86 | — | — | |
| Isobutane SCHEMBL27714122 | 0.86 | FFAR3 (0.38) | FFAR3LCKFYNCA1CA2 | |
| Hydrogen Peroxide SCHEMBL11765059 | 0.85 | — | — | |
| Carbamic Acid SCHEMBL27598929 | 0.84 | — | — | |
| SCHEMBL20475 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6359122-B1 | Pyrocarbonic acid diesters and the preparation and use thereof | CIBA SPECIALTY CHEMICALS CORPORATION | 2002-03-19 | — | — | US | disclosed |
| US-6222047-B1 | PIGMENT PRECURSORS | CIBA SPECIALTY CHEMICALS CORPORATION | 2001-04-24 | — | — | US | disclosed |
| US-6063924-A | N-(ALKENYL OR ALKYNYL)OXYCARBONYL SUBSTITUTED CHROMOPHORE DERIVATIVES; SOLUBLE ORGANIC PIGMENTS | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| US-5750758-A | DEHYDRATION OF CARBONIC ACID | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |