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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | PTAFR | P25105 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 SCHEMBL9519523 | 1.00 | NPC1 (0.58) | NPC1RAB9AALDH1A1PTAFRCES2 | |
| SCHEMBL10521631 | 0.95 | NPC1 (0.56) | NPC1RAB9AALDH1A1PTAFRCES2 | |
| SCHEMBL10521625 | 0.95 | NPC1 (0.56) | NPC1RAB9AALDH1A1PTAFRCES2 | |
| Bicarbonate SCHEMBL9519767 | 0.92 | CES2 (0.56) | NPC1RAB9AALDH1A1PTAFRCES2 | |
| Bicarbonate SCHEMBL9519319 | 0.92 | CES2 (0.56) | NPC1RAB9AALDH1A1PTAFRCES2 | |
| Bicarbonate SCHEMBL9522758 | 0.89 | MTNR1A (0.55) | NPC1RAB9AALDH1A1CES2CES1 | |
| Bicarbonate SCHEMBL9519845 | 0.89 | MTNR1A (0.55) | NPC1RAB9AALDH1A1CES2CES1 | |
| Bicarbonate SCHEMBL9519804 | 0.89 | CES2 (0.50) | NPC1RAB9APTAFRCES2CES1 | |
| Bicarbonate SCHEMBL9520333 | 0.89 | CES2 (0.50) | NPC1RAB9APTAFRCES2CES1 | |
| SCHEMBL10399056 | 0.87 | NPC1 (0.58) | NPC1RAB9AALDH1A1PTAFRCES2 |
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 |