Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 12/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 13/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.38 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4402638 | 0.92 | CHRNA7 (0.39) | CYP2D6BCHEACHECHRNA7CHRNA10 | |
| Bromide SCHEMBL7347140 | 0.83 | ACHE (0.51) | BCHEACHE | |
| SCHEMBL16591502 | 0.81 | ACHE (0.49) | BCHEACHETSHR | |
| SCHEMBL13361698 | 0.81 | CHRNA7 (0.42) | CYP2D6ACHECHRNA7CHRNA10CHRNA9 | |
| SCHEMBL4400686 | 0.80 | CHRNA7 (0.47) | BCHEACHECHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL3314662 | 0.76 | CHRNA7 (0.46) | CYP2D6ACHECHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL5907737 | 0.74 | CYP2D6 (0.49) | CYP2D6BCHEACHE | |
| SCHEMBL13334115 | 0.74 | TP53 (0.45) | CYP2D6ACHECHRNA7CHRNA10CHRNA9 | |
| Bromide SCHEMBL3312598 | 0.74 | HRH1 (0.47) | CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL3248545 | 0.73 | TSHR (0.33) | BCHEACHETSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409929-A | Treating psychosis, dyskinesia | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-25 | — | — | US | disclosed |
| EP-0626947-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-07 | — | — | EP | disclosed |
| WO-1993016047-A1 | HYDROISOINDOLINES AND HYDROISOQUINOLINES AS PSYCHOTROPIC DRUGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5216018-A | Antidyskinetic agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-06-01 | — | — | US | disclosed |