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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7611273 | 1.00 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL473092 | 0.97 | — | — | |
| SCHEMBL22169227 | 0.97 | — | — | |
| SCHEMBL1518712 | 0.94 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL23358944 | 0.94 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL23358846 | 0.94 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL23358875 | 0.94 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL6229375 | 0.94 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL23359018 | 0.94 | THRB (0.33) | THRBMEN1KMT2A | |
| SCHEMBL23358999 | 0.94 | THRB (0.33) | THRBMEN1KMT2A |
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-1064264-A4 | CYTOTOXIC METAL CHELATORS AND METHODS FOR MAKING AND USING SAME | UNIV WAKE FOREST (US) | 2002-06-26 | — | — | EP | disclosed |
| EP-1064264-A1 | CYTOTOXIC METAL CHELATORS AND METHODS FOR MAKING AND USING SAME | WAKE FOREST UNIVERSITY (US) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999047502-A1 | CYTOTOXIC METAL CHELATORS AND METHODS FOR MAKING AND USING SAME | WAKE FOREST UNIVERSITY (US) | 1999-09-23 | — | — | WO | disclosed |