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 | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.45 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
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 SCHEMBL7273236 | 1.00 | HDAC8 (0.52) | HDAC8HDAC6HDAC1HAO1ACMSD | |
| SCHEMBL11481277 | 0.92 | HDAC8 (0.49) | HDAC8HDAC6HDAC1HAO1ACMSD | |
| SCHEMBL233178 | 0.89 | ESR2 (0.47) | HDAC8HDAC6HDAC1ESR2CYP3A4 | |
| Formic Acid SCHEMBL27517069 | 0.86 | HDAC8 (0.46) | HDAC8HDAC6HDAC1HAO1ESR2 | |
| SCHEMBL3575917 | 0.84 | HDAC8 (0.50) | HDAC8HDAC6HDAC1ESR2HTT | |
| Cyanide SCHEMBL27788638 | 0.83 | ESR2 (0.42) | HDAC8HDAC6HDAC1ESR2CYP3A4 | |
| SCHEMBL17061138 | 0.82 | HDAC8 (0.48) | HDAC8HDAC6HDAC1HAO1ESR2 | |
| SCHEMBL126116 | 0.82 | HDAC8 (0.48) | HDAC8HDAC6HDAC1HAO1ESR2 | |
| SCHEMBL21609716 | 0.82 | HDAC8 (0.48) | HDAC8HDAC6HDAC1HAO1ESR2 | |
| SCHEMBL30056544 | 0.82 | HDAC8 (0.48) | HDAC8HDAC6HDAC1HAO1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0483667-B1 | Cyclic imino derivatives, process for their preparation and drugs containing them | THOMAE GMBH DR K (DE) | 1998-02-04 | — | — | EP | disclosed |
| EP-0483667-A2 | Cyclic imino derivatives, process for their preparation and drugs containing them | Dr. Karl Thomae GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |