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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 12/20 | 0.79 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.59 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
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 SCHEMBL8552114 | 1.00 | MAOB (0.79) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL29666660 | 0.89 | MAOB (1.00) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL73864 | 0.89 | MAOB (1.00) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL17978716 | 0.87 | MAOB (0.96) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL14967427 | 0.82 | MRGPRX4 (0.76) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL9538429 | 0.81 | MRGPRX4 (1.00) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL4404036 | 0.80 | MAOB (1.00) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL12746077 | 0.80 | MAOB (0.81) | MAOBMRGPRX4NR4A2MAOACYP4F2 | |
| SCHEMBL26641488 | 0.79 | MAOB (0.65) | MAOBMRGPRX4ALDH1A1NPC1RAB9A | |
| SCHEMBL9368330 | 0.79 | MRGPRX4 (0.76) | MAOBMRGPRX4ALDH1A1NPC1RAB9A |
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-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |