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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL1238345 | 0.93 | HTR3E (0.57) | CES1CES2AKR1B1HTR3EHTR3B | |
| Acetic Acid SCHEMBL3665413 | 0.91 | CES1 (0.52) | CES1CES2AKR1B1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL183500 | 0.91 | IDO1 (0.56) | CES1CES2AKR1B1HTR3EHTR3B | |
| SCHEMBL27868161 | 0.85 | HTR3E (0.47) | CES1CES2AKR1B1HTR3EHTR3B | |
| SCHEMBL13673467 | 0.84 | PLA2G10 (0.53) | CES1CES2AKR1B1HTR3EHTR3B | |
| Phenylacetic Acid SCHEMBL27804643 | 0.82 | AKR1B1 (0.77) | CES1CES2AKR1B1PLAUHIF1A | |
| SCHEMBL11344724 | 0.81 | TSHR (0.57) | CES1CES2AKR1B1HTR3EHTR3B | |
| SCHEMBL5706141 | 0.80 | CES1 (0.54) | CES1CES2AKR1B1PLAUHIF1A | |
| Phenylacetic Acid SCHEMBL28326941 | 0.80 | AKR1B1 (0.74) | CES1CES2AKR1B1PLAUHIF1A | |
| SCHEMBL5756341 | 0.80 | LMNA (0.57) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0709386-B1 | FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMA CO LTD (JP) | 2003-05-07 | — | — | EP | disclosed |
| EP-1097920-A1 | Intermediate for condensed benzazepine derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2001-05-09 | — | — | EP | disclosed |
| US-5856564-A | CHEMICAL INTERMEDIATE FOR VASOPRESSIN ANTAGONIST | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1999-01-05 | — | — | US | disclosed |
| US-5723606-A | Condensed benzazepine derivative and pharmaceutical composition thereof | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0709386-A1 | FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-05-01 | — | — | EP | disclosed |