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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL44266 | 0.93 | MTNR1A (0.42) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL10397770 | 0.81 | AKR1C3 (0.50) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL10397769 | 0.81 | AKR1C3 (0.50) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL88322 | 0.81 | ALDH1A1 (0.46) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL183824 | 0.77 | KDM1A (0.42) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| Bicarbonate SCHEMBL9521030 | 0.77 | TSHR (0.43) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| Bicarbonate SCHEMBL9521636 | 0.77 | TSHR (0.43) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL19217672 | 0.77 | CES2 (0.56) | CES2CES1ALDH1A1TSHRDAO | |
| Bicarbonate SCHEMBL9520143 | 0.77 | TSHR (0.43) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL9520971 | 0.76 | MTNR1A (0.50) | MTNR1AMTNR1BCES2CES1ALDH1A1 |
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 |