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 | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.54 |
| ▸ | KMO | O15229 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | USP5 | P45974 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL127034 | 0.91 | ACMSD (0.44) | ACMSDKMOCYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL12917832 | 0.85 | GRIA4 (0.43) | ACMSDUSP5HDAC6USP30 | |
| SCHEMBL3901048 | 0.83 | ACMSD (0.64) | ACMSDKMOCYP3A4CYP2C9APP | |
| Formic Acid SCHEMBL28266835 | 0.82 | USP30 (0.43) | ACMSDKMOCYP3A4CYP2C9SMN1; SMN2 | |
| Bicarbonate SCHEMBL9629020 | 0.81 | KMO (0.46) | ACMSDKMOCYP3A4CYP2C9APP | |
| SCHEMBL8939445 | 0.81 | NPC1 (0.56) | ACMSDNPC1RAB9AUSP5HDAC6 | |
| SCHEMBL8939442 | 0.81 | NPC1 (0.56) | ACMSDNPC1RAB9AUSP5HDAC6 | |
| SCHEMBL3495200 | 0.81 | ACMSD (0.63) | ACMSDKMOCYP3A4CYP2C9APP | |
| SCHEMBL808710 | 0.80 | HTR2A (0.46) | KMT2ATDP1USP5HDAC6USP30 | |
| SCHEMBL29389392 | 0.80 | HTR2A (0.46) | KMT2ATDP1USP5HDAC6USP30 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0441951-B1 | HALOGENATED BENZENE DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 1996-07-10 | — | — | EP | disclosed |
| EP-0441951-A1 | HALOGENATED BENZENE DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-08-21 | — | — | EP | disclosed |
| WO-1991003445-A2 | HALOGENATED BENZENE DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-21 | — | — | WO | disclosed |