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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PHGDH | O43175 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL508980 | 0.89 | PHGDH (0.47) | POLBHSD17B10SIGMAR1ALDH1A1LMNA | |
| SCHEMBL2056148 | 0.89 | PHGDH (0.47) | POLBHSD17B10SIGMAR1ALDH1A1LMNA | |
| SCHEMBL16716747 | 0.89 | PHGDH (0.47) | POLBHSD17B10SIGMAR1ALDH1A1LMNA | |
| SCHEMBL20080914 | 0.89 | PHGDH (0.47) | POLBHSD17B10SIGMAR1ALDH1A1LMNA | |
| SCHEMBL2321741 | 0.87 | PHGDH (0.43) | POLBHSD17B10SIGMAR1ALDH1A1KDM4E | |
| SCHEMBL1645820 | 0.87 | PHGDH (0.43) | POLBHSD17B10SIGMAR1ALDH1A1KDM4E | |
| SCHEMBL13942544 | 0.83 | KDM4E (0.47) | POLBHSD17B10SIGMAR1ALDH1A1KDM4E | |
| Bicarbonate SCHEMBL19689366 | 0.82 | L3MBTL3 (0.50) | POLBHSD17B10ALDH1A1KDM4EL3MBTL3 | |
| Bicarbonate SCHEMBL11101479 | 0.82 | L3MBTL3 (0.50) | POLBHSD17B10ALDH1A1KDM4EL3MBTL3 | |
| SCHEMBL81246 | 0.82 | L3MBTL3 (0.41) | POLBHSD17B10ALDH1A1KDM4ELMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318383-B1 | PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2013-07-03 | — | — | EP | disclosed |
| EP-2318383-A1 | PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010017850-A1 | PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-18 | — | — | WO | disclosed |