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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 8/20 | 0.58 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10692064 | 0.98 | CHKA (0.57) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Benzyl Viologen SCHEMBL4079047 | 0.82 | ALDH1A1 (0.71) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL365151 | 0.81 | CHKA (0.61) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL28611338 | 0.81 | CHKA (0.61) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL10601001 | 0.81 | CHKA (0.45) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL13283227 | 0.81 | CHKA (0.61) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL5206067 | 0.80 | ALDH1A1 (0.62) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL30826134 | 0.80 | BCHE (0.53) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL8890844 | 0.80 | CHKA (0.64) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Benzyl Viologen SCHEMBL1108041 | 0.79 | ALDH1A1 (0.74) | CHKAALDH1A1LMNAHTTSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5137884-A | Antibiotics | MERCK & CO., INC. (US) | 1992-08-11 | — | — | US | disclosed |
| US-4695565-A | Antibacterial 7β-heterocyclic-cephem | MERCK & CO., INC. (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0021082-B1 | N-HETEROCYCLYL THIENAMYCINS, PROCESS FOR PREPARING AND ANTIBIOTIC PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1987-08-12 | — | — | EP | disclosed |
| EP-0018595-B1 | 7-N-HETEROCYCLYL CEPHALOSPORINS, A PROCESS FOR PREPARING AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1986-08-20 | — | — | EP | disclosed |
| EP-0177897-A2 | Antibacterial 7beta-heterocyclic-cephem | MERCK & CO. INC. (US) | 1986-04-16 | — | — | EP | disclosed |
| US-4376774-A | CONTAINING A PYRIDINIUM RING | MERCK & CO., INC. (US) | 1983-03-15 | — | — | US | disclosed |
| US-4358447-A | ZWITTERIONS | MERCK & CO., INC. (US) | 1982-11-09 | — | — | US | disclosed |
| US-4283397-A | 7-N-Heterocyclyl cephalosporins and antibiotic pharmaceutical compositions containing them | MERCK & CO., INC. (US) | 1981-08-11 | — | — | US | disclosed |
| US-4282219-A | 7-N-Heterocyclyl cephalosporins and antibiotic pharmaceutical compositions containing them | MERCK & CO., INC. (US) | 1981-08-04 | — | — | US | disclosed |
| US-4271159-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-06-02 | — | — | US | disclosed |
| US-4255424-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-03-10 | — | — | US | disclosed |
| EP-0021082-A1 | N-heterocyclyl thienamycins, process for preparing and antibiotic pharmaceutical composition containing the same | MERCK & CO. INC. (US) | 1981-01-07 | — | — | EP | disclosed |
| EP-0018595-A2 | 7-N-Heterocyclyl cephalosporins, a process for preparing and a pharmaceutical composition comprising the same | MERCK & CO. INC. (US) | 1980-11-12 | — | — | EP | disclosed |