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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 SCHEMBL9521636 | 1.00 | TSHR (0.43) | TSHRTDP1CYP2C19L3MBTL1RECQL | |
| Bicarbonate SCHEMBL9520143 | 1.00 | TSHR (0.43) | TSHRTDP1CYP2C19L3MBTL1RECQL | |
| SCHEMBL9519520 | 0.94 | ALDH1A1 (0.38) | TSHRTDP1CYP2C19L3MBTL1RECQL | |
| SCHEMBL15152900 | 0.94 | ALDH1A1 (0.38) | TSHRTDP1CYP2C19L3MBTL1RECQL | |
| SCHEMBL9519534 | 0.94 | ALDH1A1 (0.38) | TSHRTDP1CYP2C19L3MBTL1RECQL | |
| Bicarbonate SCHEMBL9521282 | 0.89 | SMN1; SMN2 (0.50) | L3MBTL1MAPTALDH1A1CYP1A2KDM4E | |
| Bicarbonate SCHEMBL9522412 | 0.87 | CES2 (0.57) | CYP3A4MAPTPARP1CES1CES2 | |
| Bicarbonate SCHEMBL9523143 | 0.87 | CES2 (0.57) | CYP3A4MAPTPARP1CES1CES2 | |
| Bicarbonate SCHEMBL9519795 | 0.84 | ALDH1A1 (0.48) | TDP1MAPTCES1CES2ALDH1A1 | |
| Bicarbonate SCHEMBL9522758 | 0.83 | MTNR1A (0.55) | PARP1MTNR1AMTNR1BCES1CES2 |
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 |