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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994975 | 0.89 | LMNA (0.36) | KMT2ACYP3A4SMN1; SMN2L3MBTL1POLB | |
| Bicarbonate SCHEMBL9117401 | 0.89 | NPC1 (0.41) | EPHX2KMT2AMEN1SMN1; SMN2BCHE | |
| Bicarbonate SCHEMBL6995801 | 0.84 | EPHX2 (0.57) | EPHX2KMT2AMEN1CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL6998472 | 0.83 | EPHX2 (0.59) | EPHX2KMT2AMEN1CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL7000575 | 0.83 | EPHX2 (0.59) | EPHX2KMT2AMEN1CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL9095784 | 0.82 | KMT2A (0.52) | EPHX2KMT2AMEN1CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL9094313 | 0.81 | KMT2A (0.46) | KMT2AMEN1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6992821 | 0.80 | TAS1R3 (0.45) | KMT2ACYP3A4SMN1; SMN2L3MBTL1POLB | |
| Bicarbonate SCHEMBL9230103 | 0.79 | KMT2A (0.52) | KMT2AMEN1SMN1; SMN2SIGMAR1POLB | |
| SCHEMBL6997712 | 0.77 | LPAR1 (0.40) | KMT2AMEN1SMN1; SMN2L3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995026954-A1 | ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-12 | — | — | WO | disclosed |