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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 SCHEMBL9685458 | 0.91 | SLC18A3 (0.53) | NPC1RAB9ASLC18A3SMN1; SMN2TP53 | |
| SCHEMBL1405569 | 0.88 | ESR2 (0.50) | RAB9ASLC18A3ESR2SMN1; SMN2TP53 | |
| SCHEMBL9442430 | 0.88 | NPC1 (0.66) | NPC1RAB9ASLC18A3ESR2SMN1; SMN2 | |
| SCHEMBL9442414 | 0.88 | NPC1 (0.66) | NPC1RAB9ASLC18A3ESR2SMN1; SMN2 | |
| Bicarbonate SCHEMBL9685782 | 0.85 | CYP2C9 (0.48) | NPC1RAB9ASLC18A3ESR2SMN1; SMN2 | |
| SCHEMBL15043523 | 0.84 | NPC1 (0.47) | NPC1RAB9ASLC18A3ESR2SMN1; SMN2 | |
| Acetic Acid SCHEMBL6347645 | 0.84 | SMN1; SMN2 (0.54) | NPC1RAB9ASLC18A3SMN1; SMN2TP53 | |
| SCHEMBL10062044 | 0.82 | ESR2 (0.65) | NPC1RAB9ASLC18A3ESR2SMN1; SMN2 | |
| SCHEMBL12675264 | 0.82 | ESR2 (0.69) | ESR2CYP2C9CYP3A4 | |
| SCHEMBL16452852 | 0.82 | NPC1 (0.39) | NPC1RAB9ASLC18A3ESR2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |