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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | CXCR6 | O00574 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 SCHEMBL7622727 | 0.90 | KMT2A (0.63) | KMT2ASIGMAR1ALDH1A1ATMMEN1 | |
| Bicarbonate SCHEMBL4423930 | 0.89 | KMT2A (0.62) | KMT2AGAASIGMAR1L3MBTL1ALDH1A1 | |
| Bicarbonate SCHEMBL4422720 | 0.88 | KMT2A (0.60) | KMT2ASIGMAR1L3MBTL1ALDH1A1HPGD | |
| Bicarbonate SCHEMBL4431556 | 0.88 | KMT2A (0.60) | KMT2ASIGMAR1L3MBTL1ALDH1A1HPGD | |
| Bicarbonate SCHEMBL4426525 | 0.86 | KMT2A (0.63) | KMT2AGAASIGMAR1L3MBTL1ALDH1A1 | |
| Bicarbonate SCHEMBL4435106 | 0.86 | KMT2A (0.55) | KMT2AGAASIGMAR1L3MBTL1ALDH1A1 | |
| Bicarbonate SCHEMBL7614611 | 0.84 | ALDH1A1 (0.61) | KMT2AGAASIGMAR1ALDH1A1MAPT | |
| Bicarbonate SCHEMBL4435414 | 0.81 | KMT2A (0.61) | KMT2AGAASIGMAR1L3MBTL1ALDH1A1 | |
| Bicarbonate SCHEMBL4423929 | 0.80 | TAS1R3 (0.54) | KMT2AALDH1A1HPGDATMTAS1R3 | |
| Bicarbonate SCHEMBL4423951 | 0.80 | KMT2A (0.60) | KMT2AGAASIGMAR1L3MBTL1ALDH1A1 |
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 |