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 | 17/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL255309 | 0.82 | SIGMAR1 (0.70) | SIGMAR1KMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL28429716 | 0.79 | SIGMAR1 (0.66) | SIGMAR1KMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL28380769 | 0.79 | SIGMAR1 (0.60) | SIGMAR1KMT2AMEN1 | |
| SCHEMBL19498805 | 0.78 | SIGMAR1 (0.74) | SIGMAR1 | |
| SCHEMBL22043230 | 0.78 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL13589884 | 0.78 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL7022052 | 0.78 | SIGMAR1 (0.64) | SIGMAR1KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL15130899 | 0.78 | SIGMAR1 (0.64) | SIGMAR1KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL18645287 | 0.78 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL12312527 | 0.77 | SIGMAR1 (0.71) | SIGMAR1KMT2A |
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-1461306-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003035599-A1 | QUARTERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-01 | — | — | WO | disclosed |