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 | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | DBH | P09172 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21359837 | 0.86 | MAPT (0.38) | NPSR1ALDH1A1CES2CES1ALOX15 | |
| Hydrochloric Acid SCHEMBL2948518 | 0.86 | MAPT (0.38) | NPSR1ALDH1A1CES2CES1ALOX15 | |
| Phosphonic Acid SCHEMBL2459322 | 0.82 | MAPT (0.35) | NPSR1ALDH1A1CES2CES1POLB | |
| Acetic Acid SCHEMBL27628618 | 0.75 | CES2 (0.39) | NPSR1ALDH1A1CES2CES1TSHR | |
| Benzylamine SCHEMBL7955985 | 0.75 | LOXL2 (0.58) | TSHRSMN1; SMN2CYP3A4CYP2C19CA1 | |
| SCHEMBL4365224 | 0.73 | MAPT (0.41) | NPSR1ALDH1A1TSHRNAPRTDAO | |
| Bicarbonate SCHEMBL31230432 | 0.70 | ITGA4 (0.38) | NPSR1ALDH1A1CES2CES1TSHR | |
| Bicarbonate SCHEMBL5014553 | 0.70 | MAPT (0.53) | NPSR1ALDH1A1CES2CES1TSHR | |
| Bicarbonate SCHEMBL4599245 | 0.70 | MAPT (0.53) | NPSR1ALDH1A1CES2CES1TSHR | |
| Bicarbonate SCHEMBL11246116 | 0.70 | MAPT (0.53) | NPSR1ALDH1A1CES2CES1TSHR |
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-0565683-A1 | QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-10-20 | — | — | EP | disclosed |
| WO-1993008173-A1 | QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-04-29 | — | — | WO | disclosed |