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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DBH | P09172 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11534115 | 0.90 | CNR2 (0.39) | ALDH1A1KDM4ECNR2NPSR1CYP19A1 | |
| Hydrochloric Acid SCHEMBL11536426 | 0.80 | CYP19A1 (0.40) | CYP19A1LMNASMN1; SMN2GAAHTT | |
| Water SCHEMBL11536730 | 0.79 | CYP19A1 (0.39) | ALDH1A1KDM4ECYP19A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11537795 | 0.76 | CYP19A1 (0.42) | ALDH1A1NPSR1CYP19A1MEN1KMT2A | |
| Bromide SCHEMBL11538178 | 0.70 | MAPK14 (0.47) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| Bromide SCHEMBL11533873 | 0.69 | ALDH1A1 (0.41) | CA1CA2ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL11534301 | 0.68 | MAPK14 (0.48) | ALDH1A1L3MBTL1NPSR1MEN1KMT2A | |
| SCHEMBL11539144 | 0.67 | ALDH1A1 (0.42) | CA1CA2ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL1757848 | 0.66 | ACHE (0.59) | ALDH1A1KDM4ENPSR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11536275 | 0.66 | ALDH1A1 (0.41) | CA1CA2ALDH1A1KDM4EL3MBTL1 |
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 6 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-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 |