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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 SCHEMBL6996121 | 0.89 | GAA (0.55) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL6997216 | 0.89 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL7090824 | 0.88 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL6990057 | 0.88 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL6990572 | 0.87 | KMT2A (0.43) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL6993708 | 0.86 | GAA (0.44) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL6990632 | 0.86 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL7000560 | 0.85 | EPHX2 (0.44) | SMN1; SMN2KDM4EKMT2AMEN1SIGMAR1 | |
| Bicarbonate SCHEMBL6998477 | 0.83 | GAA (0.41) | NPC1RAB9ASMN1; SMN2GAALMNA | |
| Bicarbonate SCHEMBL8744799 | 0.83 | KMT2A (0.49) | LMNAHPGDKMT2A |
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 2 patents. 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 |
| 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 |