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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 9/20 | 0.56 |
| ▸ | AKT1 | P31749 | 4/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | PHLPP1 | O60346 | 1/20 | 0.51 |
| ▸ | ILK | Q13418 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | TTPA | P49638 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600009 | 0.84 | ALOX5 (0.62) | ALOX5AKT1PDPK1PHLPP1ILK | |
| Bromide SCHEMBL9096621 | 0.82 | ALOX5 (0.55) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL17874902 | 0.82 | LMNA (0.71) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL39202 | 0.82 | LMNA (0.71) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL3460249 | 0.82 | LMNA (0.71) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL17011751 | 0.82 | LMNA (0.64) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL14695837 | 0.82 | LMNA (0.71) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL2695150 | 0.82 | LMNA (0.71) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL6027939 | 0.81 | ALOX5 (0.58) | ALOX5AKT1PDPK1PHLPP1ILK | |
| SCHEMBL6463246 | 0.81 | ALOX5 (0.58) | ALOX5AKT1PDPK1PHLPP1ILK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536036-B1 | Cardioprotective tocopherol analogs | MERRELL PHARMA INC (US) | 1998-02-25 | — | — | EP | disclosed |
| EP-0535283-A1 | Cardioprotective tocopherol analogs | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-04-07 | — | — | EP | disclosed |
| EP-0536036-A1 | Cardioprotective tocopherol analogs | MERRELL PHARMACEUTICALS INC. (US) | 1993-04-07 | — | — | EP | disclosed |