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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL1569088 | 0.91 | IDO1 (0.49) | IDO1MAPTMEN1TSHRKMT2A | |
| Acetic Acid SCHEMBL28980245 | 0.91 | IDO1 (0.49) | IDO1MAPTMEN1TSHRKMT2A | |
| Bicarbonate SCHEMBL11118762 | 0.91 | BCL2L1 (0.50) | IDO1HTR3AHSD11B1SLC18A3ALDH1A1 | |
| Bicarbonate SCHEMBL6204994 | 0.90 | BCL2L1 (0.56) | KMT2AHIF1AHTR3ASLC18A3HTT | |
| SCHEMBL315186 | 0.88 | HTR3A (0.58) | MAPTMEN1TSHRKMT2AUSP2 | |
| SCHEMBL918204 | 0.88 | NPC1 (0.66) | IDO1MAPTMEN1TSHRKMT2A | |
| SCHEMBL637532 | 0.88 | NPC1 (0.66) | IDO1MAPTMEN1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL10982713 | 0.86 | NPC1 (0.64) | IDO1MAPTMEN1TSHRKMT2A | |
| Methyl Alcohol SCHEMBL15391253 | 0.86 | DRD2 (0.55) | IDO1MAPTMEN1TSHRKMT2A | |
| SCHEMBL11492945 | 0.85 | BCL2L1 (0.49) | IDO1HTR3AHSD11B1SLC18A3BCL2L1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | claimed |
| JP-2007534719-A | — | — | 2007-11-29 | — | — | JP | claimed |
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | claimed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | claimed |
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | disclosed |
| 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 |
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | disclosed |
| WO-2006058868-A2 | SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-06-08 | — | — | WO | disclosed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | disclosed |
| EP-1206446-B1 | CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-05-26 | — | — | EP | disclosed |