Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3708602 | 0.97 | MAPK1 (0.50) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL842144 | 0.79 | MAPK1 (0.50) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL4449679 | 0.79 | ESR1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Tert-Butylbenzene SCHEMBL28274873 | 0.77 | MAPK1 (0.48) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Bromide SCHEMBL8857061 | 0.76 | MAPK1 (0.42) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Tert-Butylbenzene SCHEMBL6537004 | 0.75 | MAPK1 (0.52) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Bromide SCHEMBL102597 | 0.75 | KCNN4 (0.45) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL662183 | 0.74 | MAPK1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL2012032 | 0.74 | MAPK1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL3264960 | 0.74 | MAPK1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 |
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 |