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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | STAT6 | P42226 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL178952 | 0.87 | — | — | |
| SCHEMBL11799 | 0.87 | — | — | |
| SCHEMBL441286 | 0.87 | — | — | |
| SCHEMBL28550681 | 0.84 | — | — | |
| Ethane SCHEMBL27625986 | 0.84 | TSHR (0.41) | EPHX2EPHX1TSHRSHBGTRPA1 | |
| SCHEMBL28551741 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL27464623 | 0.84 | TSHR (0.41) | EPHX2EPHX1TSHRSHBGTRPA1 | |
| SCHEMBL28553333 | 0.84 | — | — | |
| SCHEMBL28542292 | 0.84 | — | — | |
| Bicarbonate SCHEMBL28327095 | 0.84 | EPHX2 (0.50) | EPHX2TSHRKDM4ENPC1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983220-A1 | METHOD FOR PRODUCING ALCOHOLS CONTAINING CYCLOALIPHATIC GROUPS | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052892-A1 | METHOD FOR PRODUCING ALCOHOLS CONTAINING CYCLOALIPHATIC GROUPS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-26 | — | — | WO | disclosed |