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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1120987 | 0.97 | CYP3A4 (0.58) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Water SCHEMBL1131329 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL30350108 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Water SCHEMBL1131752 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL31059891 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL28427105 | 0.86 | TDP1 (0.46) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL28152680 | 0.86 | TDP1 (0.46) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL29635182 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL4004840 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL28333146 | 0.85 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2DRD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5741931-A | Phosphepinium salts | HOECHST AG (DE) | 1998-04-21 | — | — | US | disclosed |