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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | DBH | P09172 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11539144 | 0.98 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1CA1CA2 | |
| Hydrochloric Acid SCHEMBL11536275 | 0.96 | ALDH1A1 (0.41) | ALDH1A1KDM4EL3MBTL1CA1CA2 | |
| Bromide SCHEMBL11537786 | 0.90 | HDAC8 (0.43) | KDM4ECA1CA2HDAC8HDAC6 | |
| Sulfuric Acid SCHEMBL11536980 | 0.89 | CA1 (0.36) | ALDH1A1KDM4EL3MBTL1CA1CA2 | |
| Bromide SCHEMBL11535506 | 0.87 | MAPT (0.41) | ALDH1A1KDM4EL3MBTL1CA1CA2 | |
| Bromide SCHEMBL11537226 | 0.86 | DBH (0.46) | ALDH1A1KDM4EDBHSIGMAR1CYP11B1 | |
| Hydrochloric Acid SCHEMBL11537262 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ECA1CA2DBH | |
| Hydrochloric Acid SCHEMBL11537907 | 0.83 | LMNA (0.43) | L3MBTL1CA1CA2HDAC8HDAC6 | |
| Bromide SCHEMBL11536301 | 0.83 | SIGMAR1 (0.44) | ALDH1A1KDM4EL3MBTL1DBHSIGMAR1 | |
| Bromide SCHEMBL11535215 | 0.83 | KDM4E (0.41) | ALDH1A1KDM4EL3MBTL1CA1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4097598-A | Quaternary salts as hypoglycemic agents | PFIZER INC. (US) | 1978-06-27 | — | — | US | claimed |
| 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-4097598-A | Quaternary salts as hypoglycemic agents | PFIZER INC. (US) | 1978-06-27 | — | — | 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 |