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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.63 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL7573346 | 1.00 | AKR1C3 (0.63) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| Hydrogen Peroxide SCHEMBL2353767 | 0.92 | SLC18A3 (0.64) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| Bicarbonate SCHEMBL7572186 | 0.90 | AKR1C3 (0.70) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| Carbamic Acid SCHEMBL9679981 | 0.90 | AKR1C3 (0.59) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| SCHEMBL3144653 | 0.90 | AKR1C3 (0.64) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| Bicarbonate SCHEMBL11121465 | 0.90 | AKR1C3 (0.53) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| Bicarbonate SCHEMBL4412934 | 0.90 | KMO (0.58) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| SCHEMBL190417 | 0.89 | SLC18A3 (0.67) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 | |
| SCHEMBL41763 | 0.89 | — | — | |
| Bicarbonate SCHEMBL4410582 | 0.88 | KMO (0.61) | AKR1C3AKR1C1NPC1RAB9ASLC18A3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1585749-B1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER (US) | 2008-08-13 | — | — | EP | claimed |
| EP-1819708-B1 | SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM INT (DE) | 2012-01-11 | — | — | EP | disclosed |
| EP-1819708-A2 | SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES | Boehringer Ingelheim International GmbH (DE) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006058868-A2 | SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-06-08 | — | — | WO | disclosed |
| EP-0900198-A1 | NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS | Schering Aktiengesellschaft (DE) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041096-A1 | NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-11-06 | — | — | WO | disclosed |
| EP-0396710-B1 | PROCESS FOR THE SELECTIVE EXCITATION OF NMR SIGNALS | SPECTROSPIN AG (CH) | 1994-07-27 | — | — | EP | disclosed |
| EP-0396710-A1 | PROCESS FOR THE SELECTIVE EXCITATION OF NMR SIGNALS. | SPECTROSPIN AG (CH) | 1990-11-14 | — | — | EP | disclosed |
| WO-1990006523-A1 | PROCESS FOR THE SELECTIVE EXCITATION OF NMR SIGNALS | SPECTROSPIN AG (CH) | 1990-06-14 | — | — | WO | disclosed |