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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL134856 | 0.89 | SMN1; SMN2 (0.52) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL28264941 | 0.87 | SMN1; SMN2 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL982769 | 0.85 | PTPN1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28181464 | 0.83 | SMN1; SMN2 (0.44) | CA12CA1CA2CA7CA9 | |
| Bicarbonate SCHEMBL1976713 | 0.81 | CA1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1532728 | 0.80 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6743332 | 0.80 | POLB (0.62) | ALDH1A1PTPN1TDP1KDM4ESMN1; SMN2 | |
| Bicarbonate SCHEMBL4612198 | 0.80 | ALDH1A1 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9425229 | 0.79 | SLC6A3 (0.55) | PTPN1MAPTTDP1SMN1; SMN2LMNA | |
| SCHEMBL11358465 | 0.79 | CA12 (0.42) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102652124-B | Method for treatment of isocyanate residue, and method for treatment of carbonate | MITSU CHEMICALS INC | 2015-05-13 | — | — | CN | disclosed |
| CN-102652124-A | Method for treatment of isocyanate residue, and method for treatment of carbonate | MITSUI CHEMICALS INC | 2012-08-29 | — | — | CN | disclosed |
| CN-1077097-C | Process for producing aromatic carbonate | ASAHI CHEMICAL IND (JP) | 2002-01-02 | — | — | CN | disclosed |
| CN-1190952-A | Process for producing aromatic carbonate | ASAHI CHEMICAL IND (JP) | 1998-08-19 | — | — | CN | disclosed |