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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | HPGD | P15428 | 1/20 | 0.76 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.76 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 SCHEMBL4435145 | 0.87 | ALDH1A1 (0.62) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTSHR | |
| Bicarbonate SCHEMBL6990357 | 0.85 | MEN1 (0.71) | ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1 | |
| Bicarbonate SCHEMBL7624086 | 0.85 | HPGD (0.56) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTSHR | |
| Bicarbonate SCHEMBL7000983 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTAS1R3 | |
| Bicarbonate SCHEMBL6992780 | 0.84 | MEN1 (0.73) | ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1 | |
| Bicarbonate SCHEMBL6996071 | 0.84 | MEN1 (0.73) | ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1 | |
| Bicarbonate SCHEMBL9119872 | 0.84 | HPGD (0.56) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTSHR | |
| Bicarbonate SCHEMBL8555858 | 0.83 | TAS1R3 (0.54) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTSHR | |
| Bicarbonate SCHEMBL9120844 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTSHR | |
| Bicarbonate SCHEMBL6996704 | 0.81 | MEN1 (0.58) | ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0754175-B1 | ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2003-01-29 | — | — | EP | disclosed |