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 | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 3/20 | 0.52 |
| ▸ | GABRD | O14764 | 3/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.52 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.52 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.52 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.52 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.52 |
| ▸ | GABRE | P78334 | 3/20 | 0.52 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.52 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.52 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.52 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.52 |
| ▸ | GSR | P00390 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.46 |
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 SCHEMBL11267750 | 0.91 | GSR (0.56) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL17738838 | 0.87 | — | — | |
| SCHEMBL82877 | 0.87 | — | — | |
| SCHEMBL726430 | 0.87 | — | — | |
| Bicarbonate SCHEMBL3387529 | 0.84 | GABRP (0.56) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Hydrochloric Acid SCHEMBL18281244 | 0.84 | OPRM1 (0.52) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Hydrochloric Acid SCHEMBL3886530 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28296856 | 0.84 | — | — | |
| Adipic Acid SCHEMBL17907420 | 0.81 | CYP2D6 (0.64) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Bicarbonate SCHEMBL6548682 | 0.80 | OPRM1 (0.64) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036823-B1 | Red acid dyes for ink-jet printing and for colouring paper | CLARIANT GMBH (DE) | 2003-08-06 | — | — | EP | disclosed |
| EP-1036822-B1 | Water-soluble red acid dyes, their preparation and use | CLARIANT GMBH (DE) | 2002-12-11 | — | — | EP | disclosed |
| EP-0832937-B1 | Water-soluble perylene dyes, their preparation and use | CLARIANT GMBH (DE) | 2000-12-06 | — | — | EP | disclosed |
| EP-0827985-B1 | Water soluble copper phthalocyanine dyes, their manufacture and their use | CLARIANT GMBH (DE) | 2000-11-22 | — | — | EP | disclosed |
| EP-1036823-A1 | Red acid dyes for ink-jet printing and for colouring paper | Clariant GmbH (DE) | 2000-09-20 | — | — | EP | disclosed |
| EP-1036822-A1 | Water-soluble red acid dyes, their preparation and use | Clariant GmbH (DE) | 2000-09-20 | — | — | EP | disclosed |
| EP-0832937-A1 | Water-soluble perylene dyes, their preparation and use | Clariant GmbH (DE) | 1998-04-01 | — | — | EP | disclosed |
| EP-0827985-A1 | Water soluble copper phthalocyanine dyes, their manufacture and their use | Clariant GmbH (DE) | 1998-03-11 | — | — | EP | disclosed |