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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 11/20 | 0.55 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CHKB | Q9Y259 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10916405 | 0.96 | CHKA (0.51) | CHKABCHEACHECHKBIDO1 | |
| SCHEMBL7837346 | 0.83 | CHKA (0.49) | CHKABCHEACHEIDO1KDM4E | |
| Bromide SCHEMBL10917081 | 0.82 | CHKA (0.47) | CHKABCHEACHEIDO1 | |
| SCHEMBL565104 | 0.79 | LTA4H (0.53) | CHKABCHEACHEIDO1 | |
| Bromide SCHEMBL7860384 | 0.78 | CHKA (0.58) | CHKAKDM4ELMNAHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4740735 | 0.78 | LTA4H (0.52) | CHKABCHEACHEIDO1KDM4E | |
| SCHEMBL18775288 | 0.77 | ALDH1A1 (0.60) | CHKAACHEKDM4ELMNAHTT | |
| SCHEMBL18775289 | 0.77 | RAB9A (0.60) | CHKAACHEKDM4E | |
| Bromide SCHEMBL30973113 | 0.77 | MEN1 (0.50) | CHKABCHEACHEHTTSMN1; SMN2 | |
| SCHEMBL9871410 | 0.76 | MAOB (0.56) | CHKABCHEACHEIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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-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 |