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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8052335 | 0.97 | — | — | |
| SCHEMBL34204 | 0.97 | — | — | |
| SCHEMBL11856585 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL7540787 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL31378077 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL23243497 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL6935442 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL9217677 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| Hydrochloric Acid SCHEMBL11572374 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR | |
| SCHEMBL237772 | 0.93 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2TSHR |
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 |