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 | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.57 |
| ▸ | HTR3B | O95264 | 3/20 | 0.57 |
| ▸ | HTR3A | P46098 | 3/20 | 0.57 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.57 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.57 |
| ▸ | ESRRB | O95718 | 2/20 | 0.53 |
| ▸ | ESRRG | P62508 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 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 | |
|---|---|---|---|---|
| SCHEMBL81940 | 0.90 | ADRB1 (1.00) | ADRB1ALDH1A1USP2TSHRHSD17B10 | |
| SCHEMBL6645952 | 0.90 | ADRB1 (1.00) | ADRB1ALDH1A1USP2TSHRHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL6336692 | 0.89 | ADRB1 (0.69) | ADRB1ALDH1A1USP2TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL3719334 | 0.88 | ADRB1 (0.96) | ADRB1ALDH1A1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL314404 | 0.88 | ADRB1 (0.96) | ADRB1ALDH1A1HTR3EHTR3BHTR3A | |
| Water SCHEMBL27430691 | 0.86 | ADRB1 (0.92) | ADRB1ALDH1A1USP2TSHRHSD17B10 | |
| Dimethylamine SCHEMBL28750709 | 0.85 | ADRB1 (0.88) | ADRB1ALDH1A1USP2TSHRHSD17B10 | |
| SCHEMBL82301 | 0.83 | ADRB1 (0.85) | ADRB1ALDH1A1HTR3EHTR3BHTR3A | |
| Phenylpiperazine SCHEMBL11621472 | 0.82 | ADRB1 (0.83) | ADRB1ALDH1A1USP2TSHRHSD17B10 | |
| Bicarbonate SCHEMBL11625611 | 0.81 | ADRB1 (0.81) | ADRB1ALDH1A1USP2TSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4067982-A | LOWERING BLOOD PRESSURE, ANALGESIC, SEDATIVE, ANTIHISTAMINE | Gulden, Byk (DT) | 1978-01-10 | — | — | US | disclosed |
| US-3957786-A | HYPOTENSIVE AGENTS | BYK GULDEN (DT) | 1976-05-18 | — | — | US | disclosed |