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 | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 15/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.59 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 SCHEMBL8979730 | 0.96 | HDAC1 (0.63) | HDAC1HDAC2HDAC3NCOR2HDAC10 | |
| SCHEMBL8405018 | 0.89 | HDAC1 (0.62) | HDAC1HDAC2HDAC3NCOR2HDAC10 | |
| SCHEMBL8366816 | 0.79 | HDAC1 (0.58) | HDAC1HDAC2HDAC3NCOR2HIF1A | |
| SCHEMBL12725545 | 0.78 | MEN1 (0.60) | HDAC1HDAC2HDAC3NCOR2HIF1A | |
| SCHEMBL1505239 | 0.78 | ALDH1A1 (0.68) | HIF1ANPC1RAB9A | |
| SCHEMBL9725455 | 0.78 | VNN1 (0.57) | HDAC1HDAC2HDAC3NCOR2HIF1A | |
| SCHEMBL1066040 | 0.77 | HDAC1 (1.00) | HDAC1HDAC2HDAC3NCOR2HDAC10 | |
| SCHEMBL1065292 | 0.77 | HDAC1 (1.00) | HDAC1HDAC2HDAC3NCOR2HDAC10 | |
| SCHEMBL7164883 | 0.76 | BACE1 (0.56) | HDAC1HDAC2HDAC3NCOR2HDAC6 | |
| SCHEMBL9194246 | 0.76 | ALDH1A1 (0.69) | HDAC1HDAC2HDAC3NCOR2HDAC10 |
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-0710230-A1 | 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS | GLAXO S.p.A. (IT) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003285-A1 | 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS | GLAXO SPA (IT) | 1995-02-02 | — | — | WO | disclosed |