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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 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 SCHEMBL9521138 | 1.00 | MAOB (0.48) | MAOBCES2CES1STSKMT2A | |
| Bicarbonate SCHEMBL9518930 | 0.87 | CA12 (0.47) | MAOBNPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL10398890 | 0.87 | MAOB (0.51) | MAOBCES2CES1STSKMT2A | |
| SCHEMBL10398891 | 0.87 | MAOB (0.51) | MAOBCES2CES1STSKMT2A | |
| SCHEMBL10399176 | 0.87 | MAOB (0.51) | MAOBCES2CES1STSKMT2A | |
| Bicarbonate SCHEMBL9523143 | 0.86 | CES2 (0.57) | MAOBCES2CES1KMT2ANPC1 | |
| Bicarbonate SCHEMBL9522412 | 0.86 | CES2 (0.57) | MAOBCES2CES1KMT2ANPC1 | |
| Bicarbonate SCHEMBL9521353 | 0.84 | CA1 (0.53) | MAOBCES2CES1KMT2ARAB9A | |
| SCHEMBL9521080 | 0.84 | MAOB (0.45) | MAOBCES2CES1STSKMT2A | |
| SCHEMBL9521134 | 0.84 | MAOB (0.45) | MAOBCES2CES1STSKMT2A |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |