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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 2/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
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 SCHEMBL9376277 | 1.00 | FDPS (0.43) | FDPSITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL1476244 | 0.98 | — | — | |
| SCHEMBL288677 | 0.98 | — | — | |
| SCHEMBL288786 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL4060601 | 0.96 | FDPS (0.43) | FDPSITGB3ITGB2ITGB1ITGAV | |
| Hydrochloric Acid SCHEMBL17223559 | 0.96 | FDPS (0.43) | FDPSITGB3ITGB2ITGB1ITGAV | |
| Hydrochloric Acid SCHEMBL2035544 | 0.96 | FDPS (0.43) | FDPSITGB3ITGB2ITGB1ITGAV | |
| Hydrochloric Acid SCHEMBL643019 | 0.96 | FDPS (0.43) | FDPSITGB3ITGB2ITGB1ITGAV | |
| Hydrochloric Acid SCHEMBL22800513 | 0.94 | FDPS (0.42) | FDPSITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL644279 | 0.91 | FDPS (0.52) | FDPSITGB3ITGB2ITGB1ITGAV |
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-0404359-B1 | Dibenzothiazepine derivatives useful as antispasmodic agents | PFIZER LTD (GB) | 1994-06-29 | — | — | EP | disclosed |
| US-5071844-A | Antispasmodic agents | PFIZER INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0404359-A1 | Dibenzothiazepine derivatives useful as antispasmodic agents | Pfizer Limited (GB) | 1990-12-27 | — | — | EP | disclosed |