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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | USP2 | O75604 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 5/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17583500 | 0.86 | USP2 (0.56) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL671851 | 0.86 | USP2 (0.56) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL4048080 | 0.86 | USP2 (0.56) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL670620 | 0.86 | USP2 (0.56) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL980620 | 0.86 | USP2 (0.56) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL34979 | 0.86 | USP2 (0.56) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL4030100 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL8343 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL6544499 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL466183 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023101340-A1 | METHOD FOR PRODUCING DIISOCYANATE | 한화솔루션 주식회사 | 2023-06-08 | — | — | WO | disclosed |