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 | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.71 |
| ▸ | CES2 | O00748 | 2/20 | 0.71 |
| ▸ | CES1 | P23141 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.54 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL50462 | 0.98 | SRD5A2 (0.74) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| SCHEMBL9442387 | 0.98 | SRD5A2 (0.74) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| Hydrochloric Acid SCHEMBL4594202 | 0.95 | SRD5A2 (0.71) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| Hydrochloric Acid SCHEMBL4594201 | 0.95 | SRD5A2 (0.71) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| Methylene Chloride SCHEMBL29263429 | 0.91 | SRD5A2 (0.65) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| SCHEMBL10953514 | 0.91 | RAB9A (0.67) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| Acetone SCHEMBL29156010 | 0.91 | SRD5A2 (0.65) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| Dimethylamine SCHEMBL9750075 | 0.89 | NR4A1 (0.63) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| SCHEMBL10697158 | 0.87 | SRD5A2 (0.80) | SRD5A2CES2CES1ALDH1A1NR4A1 | |
| SCHEMBL51827 | 0.87 | SRD5A2 (0.80) | SRD5A2CES2CES1ALDH1A1NR4A1 |
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-0210415-B1 | PROCESS FOR PRODUCING CRYSTALLINE ORGANIC MATERIALS | BASF Aktiengesellschaft (DE) | 1991-10-30 | — | — | EP | disclosed |
| EP-0210415-A2 | Process for producing crystalline organic materials | BASF Aktiengesellschaft (DE) | 1987-02-04 | — | — | EP | disclosed |