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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7594626 | 0.91 | ALDH1A1 (0.62) | ALDH1A1HRH3TSHRSIGMAR1CYP2D6 | |
| SCHEMBL11585348 | 0.90 | SIGMAR1 (0.77) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| SCHEMBL688047 | 0.90 | SIGMAR1 (0.77) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| SCHEMBL8327 | 0.90 | SIGMAR1 (0.77) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| SCHEMBL11141692 | 0.90 | SIGMAR1 (0.77) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| SCHEMBL26532 | 0.90 | SIGMAR1 (0.77) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| Carbamic Acid SCHEMBL6249677 | 0.89 | TSHR (0.63) | ALDH1A1HRH3TSHRSIGMAR1CYP2D6 | |
| Hydrochloric Acid SCHEMBL7409551 | 0.88 | SIGMAR1 (0.74) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| Hydrochloric Acid SCHEMBL4774633 | 0.88 | SIGMAR1 (0.74) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 | |
| Bromide SCHEMBL10730905 | 0.88 | SIGMAR1 (0.74) | ALDH1A1HRH3SIGMAR1CYP2D6HRH4 |
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-104529872-B | A kind of synthetic method of benidipine hydrochloride intermediate | 天津长源医药科技有限公司 | 2018-07-10 | — | — | CN | claimed |