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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.46 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.46 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9237755 | 0.89 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL30967374 | 0.86 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19 | |
| SCHEMBL30967384 | 0.85 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| Bicarbonate SCHEMBL9238528 | 0.85 | DPP7 (0.64) | SMN1; SMN2DPP7KDM4ENPSR1ALDH1A1 | |
| SCHEMBL30967344 | 0.83 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL30967350 | 0.81 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL12525688 | 0.79 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL29132155 | 0.79 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL12813398 | 0.79 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL21996971 | 0.79 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 |
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 |