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 | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL8522797 | 0.97 | PTGDR2 (0.46) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL96815 | 0.89 | ALDH1A1 (0.55) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL31133438 | 0.87 | PTGDR2 (0.50) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| Formaldehyde SCHEMBL27526817 | 0.86 | ALDH1A1 (0.52) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| Ethylene SCHEMBL27581062 | 0.86 | ALDH1A1 (0.52) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL27418721 | 0.81 | ALDH1A1 (0.47) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL980265 | 0.76 | ERN1 (0.61) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL6535970 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HPGDHTTSMN1; SMN2SRC | |
| SCHEMBL29732882 | 0.76 | ERN1 (0.61) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL1201116 | 0.75 | ALDH1A1 (0.52) | PTGDR2ALDH1A1HPGDHTTSMN1; SMN2 |
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-0942729-A1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING STRESS DISORDERS | MERCK SHARP & DOHME LTD. (GB) | 1999-09-22 | — | — | EP | disclosed |
| WO-1998024440-A1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING STRESS DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1998-06-11 | — | — | WO | disclosed |