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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.62 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.62 |
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 7/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TAS1R2 | Q8TE23 | 5/20 | 0.50 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 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 SCHEMBL6992732 | 0.87 | ALDH1A1 (0.76) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTAS1R3 | |
| Bicarbonate SCHEMBL4428400 | 0.86 | MEN1 (0.70) | HPGDMEN1KMT2A | |
| Bicarbonate SCHEMBL7614072 | 0.86 | TAS1R3 (0.58) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTAS1R3 | |
| Bicarbonate SCHEMBL4428096 | 0.85 | KMT2A (0.72) | ALDH1A1HPGDMEN1KMT2A | |
| Bicarbonate SCHEMBL4434715 | 0.85 | KMT2A (0.72) | ALDH1A1HPGDMEN1KMT2A | |
| Bicarbonate SCHEMBL8556440 | 0.85 | TAS1R3 (0.57) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTAS1R3 | |
| Bicarbonate SCHEMBL4433301 | 0.82 | TAS1R3 (0.53) | ALDH1A1HPGDAPOBEC3AAPOBEC3GTAS1R3 | |
| Bicarbonate SCHEMBL4432364 | 0.81 | MEN1 (0.57) | MEN1KMT2ALMNA | |
| Bicarbonate SCHEMBL4435168 | 0.81 | MEN1 (0.51) | ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1 | |
| Bicarbonate SCHEMBL4425148 | 0.80 | MEN1 (0.56) | HPGDMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741700-B1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-10-07 | — | — | EP | disclosed |
| EP-0741700-A1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER AG (DE) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020572-A1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-08-03 | — | — | WO | disclosed |