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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.31 |
| ▸ | EGLN3 | Q9H6Z9 | 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 SCHEMBL10865888 | 1.00 | — | — | |
| Bicarbonate SCHEMBL3629001 | 0.94 | — | — | |
| Bicarbonate SCHEMBL27306298 | 0.94 | CA1 (0.71) | CA1CA2CA9LMNAACHE | |
| Bicarbonate SCHEMBL28233000 | 0.88 | — | — | |
| Bicarbonate SCHEMBL28307089 | 0.88 | CA1 (0.62) | CA1CA2CA9LMNAACHE | |
| Bicarbonate SCHEMBL25376509 | 0.88 | CA1 (0.62) | CA1CA2CA9LMNAACHE | |
| Bicarbonate SCHEMBL1682603 | 0.88 | — | — | |
| Bicarbonate SCHEMBL28196397 | 0.88 | CA1 (0.62) | CA1CA2CA9LMNAACHE | |
| Bicarbonate SCHEMBL5458669 | 0.87 | — | — | |
| Bicarbonate SCHEMBL8535954 | 0.87 | CA1 (0.83) | CA1CA2CA9LMNAACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-104725630-B | Containing pyrene PAEK, preparation method and the application in SWCN/polyether-ether-ketone composite material | 吉林大学 | 2016-09-21 | — | — | CN | disclosed |