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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 5/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10594659 | 0.98 | SIGMAR1 (0.43) | SIGMAR1NOS1PSMD14HRH3LMNA | |
| Bromide SCHEMBL9291053 | 0.93 | SIGMAR1 (0.39) | SIGMAR1NOS1PSMD14HRH3LMNA | |
| SCHEMBL5924357 | 0.91 | SIGMAR1 (0.40) | SIGMAR1NOS1PSMD14HRH3LMNA | |
| SCHEMBL2905469 | 0.91 | SIGMAR1 (0.51) | SIGMAR1HRH3LMNA | |
| SCHEMBL2905192 | 0.89 | LMNA (0.52) | SIGMAR1HRH3LMNA | |
| Iodide SCHEMBL4008478 | 0.89 | SIGMAR1 (0.50) | SIGMAR1HRH3LMNA | |
| Bromide SCHEMBL9290888 | 0.88 | KDM4E (0.48) | SIGMAR1HRH3LMNAKDM4E | |
| Iodide SCHEMBL4010790 | 0.87 | LMNA (0.50) | SIGMAR1HRH3LMNA | |
| Bromide SCHEMBL9723335 | 0.87 | KDM4E (0.47) | SIGMAR1HRH3LMNAKDM4E | |
| SCHEMBL9861592 | 0.86 | KDM4E (0.49) | SIGMAR1HRH3LMNAKDM4E |
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-0355279-A2 | Use of nitrogen-containing compounds as antiparasitics, and compositions containing them | DRUG & VACCINE DEVELOPMENT CORPORATION (US) | 1990-02-28 | — | — | EP | disclosed |
| EP-0327919-A2 | Method and agents for preventing staining of teeth | THE ROCKEFELLER UNIVERSITY (US) | 1989-08-16 | — | — | EP | disclosed |
| EP-0316852-A2 | Inhibitors of nonenzymatic cross-linking | THE ROCKEFELLER UNIVERSITY (US) | 1989-05-24 | — | — | EP | disclosed |