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 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 SCHEMBL9243928 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KMT2AKDM4EMAPTMEN1 | |
| SCHEMBL8971275 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2AKDM4EMEN1HTT | |
| SCHEMBL21150140 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KMT2AKDM4EMAPTMEN1 | |
| Bromide SCHEMBL344154 | 0.78 | KMT2A (0.50) | ALDH1A1KMT2AKDM4EMAPTMEN1 | |
| Bromide SCHEMBL8848908 | 0.76 | CA12 (0.41) | ALDH1A1KMT2AKDM4EMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL30008506 | 0.76 | PPID (0.47) | ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL4232151 | 0.76 | KMT2A (0.47) | ALDH1A1KMT2AMEN1SMN1; SMN2ERAP1 | |
| Bromide SCHEMBL10841089 | 0.76 | USP2 (0.51) | ALDH1A1KMT2AKDM4EMAPTMEN1 | |
| SCHEMBL28360786 | 0.76 | PPID (0.49) | ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A | |
| Bromide SCHEMBL16100576 | 0.75 | KMT2A (0.45) | ALDH1A1KMT2AKDM4EMAPTMEN1 |
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 |