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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1373155 | 0.98 | GSK3B (0.58) | GSK3BL3MBTL1PTPN1MAPTGAA | |
| SCHEMBL11728169 | 0.91 | GSK3B (0.58) | GSK3BL3MBTL1PTPN1MAPTGAA | |
| SCHEMBL15018952 | 0.84 | GSK3B (0.58) | GSK3BL3MBTL1PTPN1MAPTGAA | |
| SCHEMBL5055145 | 0.84 | L3MBTL1 (0.65) | GSK3BL3MBTL1MAPTNPC1THRA | |
| SCHEMBL9786122 | 0.82 | GSK3B (0.59) | GSK3BL3MBTL1PTPN1MAPTGAA | |
| SCHEMBL2356907 | 0.81 | TP53 (0.66) | GSK3BL3MBTL1THRATHRBMMP1 | |
| SCHEMBL28685529 | 0.81 | GSK3B (0.58) | GSK3BL3MBTL1MAPTGAANPC1 | |
| SCHEMBL5057170 | 0.81 | L3MBTL1 (0.70) | GSK3BL3MBTL1PTPN1MAPTNPC1 | |
| SCHEMBL5745992 | 0.81 | GSK3B (0.58) | GSK3BL3MBTL1PTPN1MAPTGAA | |
| SCHEMBL6640853 | 0.81 | L3MBTL1 (0.60) | L3MBTL1MAPTGAANPC1MMP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459529-A1 | SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS | Cephalon, Inc. (US) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011002984-A1 | SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS | CEPHALON, INC. (US) | 2011-01-06 | — | — | WO | disclosed |