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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.83 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
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 SCHEMBL21142147 | 1.00 | ESR1 (0.83) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL31712141 | 0.92 | ESR1 (0.77) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL517000 | 0.92 | ESR1 (0.77) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL2131554 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL10777847 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL13379654 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL13379655 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL13379656 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL13379657 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 | |
| SCHEMBL2132163 | 0.91 | ESR2 (1.00) | ESR1ESR2ALDH1A1L3MBTL1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0238305-B1 | 4,4-BIS(4-HYDROXYPHENYL)CYCLOHEXANECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-05-23 | — | — | EP | claimed |
| CN-108107688-A | Electrophtography photosensor | 柯尼卡美能达株式会社 | 2018-06-01 | — | — | CN | disclosed |
| US-5998077-A | Coated carrier | XEROX CORPORATION (US) | 1999-12-07 | — | — | US | disclosed |
| US-5300392-A | Imaging member with polycarbonate obtained from cyclic oligomers | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |