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 | |
|---|---|---|---|---|
| ▸ | HNF4A | P41235 | 1/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MYC | P01106 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.45 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.45 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30218224 | 0.94 | ALDH1A1 (0.56) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL581901 | 0.94 | ALDH1A1 (0.56) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Phenol SCHEMBL28344112 | 0.88 | ALDH1A1 (0.50) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| 2-Phenylphenol SCHEMBL28061859 | 0.86 | ALDH1A1 (0.65) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Bicarbonate SCHEMBL17473052 | 0.84 | MYC (0.56) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Bicarbonate SCHEMBL1839338 | 0.83 | MCL1 (0.55) | HNF4AALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL16182132 | 0.82 | ALDH1A1 (0.48) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Bicarbonate SCHEMBL9154479 | 0.82 | PDCD1 (0.55) | HNF4AALDH1A1KDM4EMYCKMT2A | |
| SCHEMBL22129995 | 0.82 | HDAC4 (0.50) | HNF4AHDAC4HDAC2HDAC8HDAC6 | |
| Bicarbonate SCHEMBL28361291 | 0.82 | PDCD1 (0.55) | HNF4AALDH1A1KDM4EMYCKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6197918-B1 | INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE | GENERAL ELECTRIC COMPANY | 2001-03-06 | — | — | US | disclosed |
| EP-0461274-B1 | PROCESS FOR CONTINUOUSLY PRODUCING AROMATIC CARBONATE | ASAHI CHEMICAL IND (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-5210268-A | Ester interchange, catalysis | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1993-05-11 | — | — | US | disclosed |
| EP-0461274-A1 | PROCESS FOR CONTINUOUSLY PRODUCING AROMATIC CARBONATE | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-12-18 | — | — | EP | disclosed |