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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
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 SCHEMBL4892629 | 0.87 | TP53 (0.57) | TP53CA1CA2CA9ALDH1A1 | |
| Bicarbonate SCHEMBL8964739 | 0.87 | TP53 (0.57) | TP53CA1CA2CA9ALDH1A1 | |
| Acetone SCHEMBL11643604 | 0.83 | LMNA (0.50) | TP53CA1ALDH1A1LMNATSHR | |
| Isopropyl Alcohol SCHEMBL3155394 | 0.82 | TP53 (0.61) | TP53CA1CA2CA9ALDH1A1 | |
| Bicarbonate SCHEMBL2159674 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL9737750 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL538205 | 0.82 | TP53 (0.61) | TP53CA1CA2CA9ALDH1A1 | |
| SCHEMBL48513 | 0.82 | — | — | |
| SCHEMBL14802262 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL15251690 | 0.78 | TP53 (0.57) | TP53CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101801415-B | The sustained delivery formulations of risperidone compounds | RB Pharmaceutical Co.,Ltd. (GB) | 2015-09-23 | — | — | CN | disclosed |
| CN-101801415-A | Sustained delivery formulations of risperidone compounds | TOLMAR THERAPEUTICS INC | 2010-08-11 | — | — | CN | disclosed |