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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | PDE4A | P27815 | 1/20 | 0.62 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.62 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | TTPA | P49638 | 4/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10350245 | 0.99 | MEN1 (0.64) | MEN1KMT2APDE4APDE3AGSTO1 | |
| Bromide SCHEMBL9097243 | 0.88 | MEN1 (0.49) | MEN1KMT2APDE4APDE3AGSTO1 | |
| SCHEMBL9094873 | 0.87 | MEN1 (0.52) | MEN1KMT2APDE4APDE3AGSTO1 | |
| SCHEMBL9094867 | 0.87 | MEN1 (0.52) | MEN1KMT2APDE4APDE3AGSTO1 | |
| SCHEMBL8377650 | 0.85 | MEN1 (0.67) | MEN1KMT2APDE4APDE3AGSTO1 | |
| Hydrochloric Acid SCHEMBL9096958 | 0.85 | MEN1 (0.59) | MEN1KMT2APDE4APDE3AGSTO1 | |
| Bromide SCHEMBL8603019 | 0.85 | MEN1 (0.73) | MEN1KMT2APDE4APDE3AGSTO1 | |
| SCHEMBL8601254 | 0.84 | MEN1 (0.66) | MEN1KMT2APDE4APDE3AGSTO1 | |
| SCHEMBL13156985 | 0.83 | MEN1 (0.65) | MEN1KMT2APDE4APDE3AGSTO1 | |
| SCHEMBL3096678 | 0.83 | MEN1 (0.65) | MEN1KMT2APDE4APDE3AGSTO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500444-A | FREE RADICAL SCAVENGERS; CYTOPROTECTIVE, ANTIINFLAMMATORY, AND ANTIISCHEMIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-03-19 | — | — | US | claimed |
| US-5500444-A | FREE RADICAL SCAVENGERS; CYTOPROTECTIVE, ANTIINFLAMMATORY, AND ANTIISCHEMIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-03-19 | — | — | US | disclosed |
| EP-0369874-B1 | Cardioprotective tocopherol analogs | MERRELL DOW PHARMA (US) | 1995-02-22 | — | — | EP | disclosed |
| EP-0369874-A2 | Cardioprotective tocopherol analogs | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-05-23 | — | — | EP | disclosed |
| EP-0369083-A1 | Cardioprotective tocopherol analogs | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-05-23 | — | — | EP | disclosed |