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 | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.53 |
| ▸ | SLC18A3 | Q16572 | 6/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 SCHEMBL9436080 | 0.98 | KMO (0.61) | KMOAKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Bicarbonate SCHEMBL4407651 | 0.98 | KMO (0.61) | KMOAKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Bicarbonate SCHEMBL4410582 | 0.98 | KMO (0.61) | KMOAKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Bicarbonate SCHEMBL11121465 | 0.95 | AKR1C3 (0.53) | KMOAKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Hydrogen Peroxide SCHEMBL2352938 | 0.93 | SLC18A3 (0.58) | KMOSLC18A3SIGMAR1HDAC8CYP2D6 | |
| SCHEMBL8112349 | 0.91 | AKR1C3 (0.55) | KMOAKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Acetic Acid SCHEMBL7274837 | 0.91 | KMO (0.55) | KMOAKR1C3AKR1C1SLC18A3SIGMAR1 | |
| Hydrogen Peroxide SCHEMBL9997756 | 0.90 | SLC18A3 (0.61) | KMOSLC18A3SIGMAR1CYP2D6TSHR | |
| Hydrogen Peroxide SCHEMBL11586135 | 0.90 | SLC18A3 (0.61) | KMOSLC18A3SIGMAR1CYP2D6TSHR | |
| Hydrogen Peroxide SCHEMBL2352896 | 0.90 | SLC18A3 (0.61) | KMOSLC18A3SIGMAR1CYP2D6TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029541-B1 | PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS | HOFFMANN LA ROCHE (CH) | 2009-12-30 | — | — | EP | claimed |
| EP-0081756-B1 | NEW COMPOUNDS WITH ANTIINFLAMMATORY AND ANTITUSSIVE ACTIVITY, PROCESS FOR THEIR PREPARATION AND RELATIVE PHARMACEUTICAL COMPOSITIONS | MEDEA RESEARCH S.r.l. (IT) | 1985-05-15 | — | — | EP | claimed |
| EP-0487673-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) | 1992-06-03 | — | — | EP | disclosed |
| WO-1992000297-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM KG (DE) | 1992-01-09 | — | — | WO | disclosed |
| EP-0126934-B1 | PROCESS FOR THE PREPARATION OF 1,1-DISUBSTITUTED THIOUREAS | BASF Aktiengesellschaft (DE) | 1986-11-05 | — | — | EP | disclosed |
| EP-0144884-A2 | Process for the preparation of alpha-substituted acrylic-acid amides | BASF Aktiengesellschaft (DE) | 1985-06-19 | — | — | EP | disclosed |
| EP-0126934-A2 | Process for the preparation of 1,1-disubstituted thioureas | BASF Aktiengesellschaft (DE) | 1984-12-05 | — | — | EP | disclosed |