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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.66 |
| ▸ | TSHR | P16473 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28532747 | 0.98 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL94797 | 0.96 | CYP3A4 (0.70) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL27624666 | 0.94 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9998237 | 0.94 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL30101898 | 0.94 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Water SCHEMBL6315641 | 0.94 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL13799407 | 0.91 | CYP3A4 (0.64) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL13133073 | 0.91 | CYP3A4 (0.64) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL12646309 | 0.91 | CYP3A4 (0.64) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Hydrogen Peroxide SCHEMBL29156813 | 0.90 | CYP3A4 (0.58) | CYP3A4TSHRTDP1ATMALDH1A1 |
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-5348712-A | Free of cosolvent and alkali metal salt; platinum, mercury, gold and silver | TEXACO CHEMICAL COMPANY (US) | 1994-09-20 | — | — | US | disclosed |