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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
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 SCHEMBL9238822 | 0.86 | CRHR1 (0.57) | NPC1RAB9ASMN1; SMN2HPGDCRHR1 | |
| Bicarbonate SCHEMBL9234387 | 0.85 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL11935476 | 0.81 | MAOA (0.53) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL13439227 | 0.81 | MAOA (0.53) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Bicarbonate SCHEMBL9238563 | 0.80 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Bicarbonate SCHEMBL9238232 | 0.80 | KMT2A (0.51) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Bicarbonate SCHEMBL9237469 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Bicarbonate SCHEMBL9238847 | 0.79 | KMT2A (0.57) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Bicarbonate SCHEMBL9238837 | 0.79 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Bicarbonate SCHEMBL9237530 | 0.77 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0638553-A1 | Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs | Dr. Karl Thomae GmbH (DE) | 1995-02-15 | — | — | EP | disclosed |