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 | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510647 | 0.94 | NPBWR1 (0.49) | VCAM1KMT2AMAPTHTTMEN1 | |
| Bicarbonate SCHEMBL6642795 | 0.93 | VCAM1 (0.53) | VCAM1KMT2AMAPTHTTMEN1 | |
| SCHEMBL9513666 | 0.93 | KMT2A (0.48) | VCAM1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL9513694 | 0.90 | VCAM1 (0.51) | VCAM1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL1065965 | 0.86 | VCAM1 (0.50) | VCAM1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL26343168 | 0.81 | ACMSD (0.57) | KMT2AMAPTHTTMEN1SMN1; SMN2 | |
| Bicarbonate SCHEMBL7420979 | 0.80 | HCAR3 (0.55) | KMT2AMAPTHTTMEN1SMN1; SMN2 | |
| SCHEMBL237004 | 0.79 | NPBWR1 (0.42) | VCAM1KMT2AMAPTHTTMEN1 | |
| SCHEMBL10534783 | 0.79 | HSP90AA1 (0.55) | KMT2AMAPTHTTMEN1SMN1; SMN2 | |
| SCHEMBL28096306 | 0.79 | HSP90AA1 (0.55) | KMT2AMAPTHTTMEN1SMN1; SMN2 |
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-1071669-A1 | BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054313-A1 | BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |