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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.62 |
| ▸ | CES2 | O00748 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6790664 | 0.98 | CES1 (0.65) | CES1CES2LMNAALDH1A1KDM4E | |
| Acetic Acid SCHEMBL11298094 | 0.94 | CES1 (0.59) | CES1CES2LMNAALDH1A1KDM4E | |
| SCHEMBL6790659 | 0.92 | CES1 (0.65) | CES1CES2LMNAALDH1A1KDM4E | |
| SCHEMBL30692971 | 0.90 | MEN1 (0.58) | CES1CES2LMNAALDH1A1KDM4E | |
| SCHEMBL11754936 | 0.81 | CES1 (0.57) | CES1CES2LMNAALDH1A1TDP1 | |
| SCHEMBL15695553 | 0.81 | CES1 (0.57) | CES1CES2ALDH1A1TDP1MAPK1 | |
| Benzoin SCHEMBL28219068 | 0.80 | CES2 (0.95) | CES1CES2LMNAALDH1A1KDM4E | |
| SCHEMBL29291313 | 0.80 | CES1 (0.53) | CES1CES2LMNAALDH1A1TDP1 | |
| Benzoin SCHEMBL901258 | 0.78 | CES2 (1.00) | CES1CES2LMNAALDH1A1KDM4E | |
| Benzoin SCHEMBL145 | 0.78 | CES2 (1.00) | CES1CES2LMNAALDH1A1KDM4E |
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-106905120-B | Y-type polyethylene glycol derivative and preparation method thereof | 北京键凯科技股份有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-109134282-B | Arborescent polyethylene glycol derivative and preparation method and application thereof | 北京键凯科技股份有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-106905120-B | Y-type polyethylene glycol derivative and preparation method thereof | 北京键凯科技股份有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-109134282-A | A kind of tree-shaped multicondensed ethylene glycol derivative and its preparation method and application | 北京键凯科技股份有限公司 | 2019-01-04 | — | — | CN | disclosed |