Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11535509 | 0.84 | ALDH1A1 (0.43) | L3MBTL1MAPTCA1CA2ALDH1A1 | |
| Bromide SCHEMBL11533878 | 0.83 | CA1 (0.45) | MAPTCA1CA2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL11536060 | 0.82 | TAAR1 (0.40) | MAPTTAAR1ALDH1A1IDO1KDM4E | |
| SCHEMBL11539146 | 0.81 | NPSR1 (0.44) | MAPTCA1CA2ALDH1A1KDM4E | |
| Bromide SCHEMBL11537791 | 0.81 | CHKA (0.41) | CA1CA2TAAR1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL11536281 | 0.80 | NPSR1 (0.43) | MAPTCA1CA2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL11537265 | 0.78 | ALDH1A1 (0.40) | MAPTCA1CA2ALDH1A1KDM4E | |
| Bromide SCHEMBL11534706 | 0.77 | CYP2A6 (0.39) | MAPTCA1CA2TSHRNPSR1 | |
| Bromide SCHEMBL11534329 | 0.75 | CA2 (0.41) | MAPTCA1CA2CA12CA9 | |
| Bromide SCHEMBL11539995 | 0.75 | HDAC6 (0.39) | CA1CA2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4163745-A | ANTIDIABETIC, HYPOGLYCEMIC | PFIZER INC. (US) | 1979-08-07 | — | — | US | disclosed |
| US-4141898-A | Imidazo pyridinium quaternary salts as hypoglycemic agents | PFIZER INC. (US) | 1979-02-27 | — | — | US | disclosed |
| US-4129567-A | IMIDAZOPYRIDINES AND ISOB IDINE | PFIZER INC. (US) | 1978-12-12 | — | — | US | disclosed |
| US-4093616-A | PYRROLO(1,2-A)PYRAZINIUM, PYRAZOLO(1,5-A)PYRIDINIUM, 1H-IMIDAZO(2,1-A)ISOQUINOLINIUM, OR IMIDAZO(5,1-A)ISOQUINOLINIUM SALTS | PFIZER INC. (US) | 1978-06-06 | — | — | US | disclosed |
| US-4044015-A | Imidazopyridinium compounds as hypoglycemic agents | PFIZER INC. (US) | 1977-08-23 | — | — | US | disclosed |