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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.72 |
| ▸ | MEN1 | O00255 | 3/20 | 0.72 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 SCHEMBL4434715 | 1.00 | KMT2A (0.72) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL4428400 | 0.99 | MEN1 (0.70) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL4432364 | 0.89 | MEN1 (0.57) | KMT2AMEN1EPHX2SMN1; SMN2SIGMAR1 | |
| Bicarbonate SCHEMBL4428116 | 0.88 | MEN1 (0.56) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL4433306 | 0.88 | MEN1 (0.56) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL4425148 | 0.88 | MEN1 (0.56) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL4434731 | 0.87 | MEN1 (0.55) | KMT2AMEN1EPHX2SIGMAR1ALDH1A1 | |
| Bicarbonate SCHEMBL6996071 | 0.86 | MEN1 (0.73) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL6992780 | 0.86 | MEN1 (0.73) | KMT2AMEN1EPHX2CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL4424931 | 0.86 | MEN1 (0.54) | KMT2AMEN1EPHX2CYP1A2CYP3A4 |
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 |