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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
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 SCHEMBL6365374 | 0.97 | TSHR (0.38) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Bicarbonate SCHEMBL21331675 | 0.95 | TSHR (0.39) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Bicarbonate SCHEMBL6365370 | 0.89 | TSHR (0.39) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Oxalic Acid SCHEMBL1053135 | 0.87 | TSHR (0.35) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Acetic Acid SCHEMBL16209053 | 0.86 | CA1 (0.44) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Oxalic Acid SCHEMBL1053134 | 0.86 | TSHR (0.38) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Oxalic Acid SCHEMBL1049233 | 0.84 | TSHR (0.37) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Oxalic Acid SCHEMBL1049232 | 0.83 | TSHR (0.39) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Acetic Acid SCHEMBL15209392 | 0.83 | CA1 (0.47) | TSHRKMT2AMEN1CYP3A4TDP1 | |
| Bicarbonate SCHEMBL6366455 | 0.80 | KDM4E (0.40) | TSHRKMT2AMEN1CYP3A4TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288009-B1 | NON-HYDROSCOPIC, NONCORROSIVE MEPIQUAT BORATE DERIVATIVE, COTTON CROPS | BASF CORPORATION | 2001-09-11 | — | — | US | disclosed |