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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 5/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 5/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
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 SCHEMBL8515579 | 0.88 | CTSS (0.39) | CTSSCTSKGPR88S1PR3KLK7 | |
| SCHEMBL20830807 | 0.79 | CTSS (0.49) | CTSSCTSKS1PR3CTSLSLC6A4 | |
| SCHEMBL3285441 | 0.78 | AAK1 (0.39) | CTSSCTSKPPARGPPARAPPARD | |
| Bromide SCHEMBL8512800 | 0.77 | CTSK (0.43) | CTSSCTSKPPARGPPARAGPR88 | |
| SCHEMBL4715527 | 0.76 | SMYD3 (0.46) | CTSSCTSKSLC6A4SLC6A3SLC6A2 | |
| SCHEMBL4715530 | 0.76 | SMYD3 (0.46) | CTSSCTSKSLC6A4SLC6A3SLC6A2 | |
| SCHEMBL5462252 | 0.73 | CTSK (0.41) | CTSSCTSKSLC6A4SLC6A3SLC6A2 | |
| SCHEMBL5689127 | 0.73 | CTSK (0.42) | CTSSCTSKCTSLSLC6A4SLC6A3 | |
| SCHEMBL4264253 | 0.73 | CTSK (0.61) | CTSSCTSKPPARGPPARAS1PR3 | |
| SCHEMBL3289149 | 0.72 | ATM (0.50) | CTSSCTSKKLK5CTSL |
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-2643295-A1 | GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | Chiesi Farmaceutici S.p.A. (IT) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012069275-A1 | GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-05-31 | — | — | WO | disclosed |