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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 1/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.43 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8971005 | 0.83 | CHKA (0.58) | CYP2D6TSHRTDP1KDM4ECHKA | |
| Bromide SCHEMBL20544414 | 0.83 | KDM4E (0.58) | CHRNA7CHRNA10CHRNA9KDM4EHDAC1 | |
| Bromide SCHEMBL11580547 | 0.79 | PABPC1 (0.51) | CYP2D6CHRNA7CHRNA10CHRNA9KDM4E | |
| Bromide SCHEMBL5907737 | 0.78 | CYP2D6 (0.49) | CYP2D6BCHEACHE | |
| SCHEMBL21490429 | 0.77 | TSHR (0.44) | CYP2D6TSHRKDM4ECHKALMNA | |
| SCHEMBL10445050 | 0.76 | CYP2D6 (0.50) | CYP2D6TDP1BCHEACHE | |
| SCHEMBL125796 | 0.76 | CYP2D6 (0.73) | CYP2D6TSHRTDP1LMNA | |
| Bromide SCHEMBL9432551 | 0.76 | CYP2D6 (0.68) | CYP2D6TDP1KDM4ELMNABCHE | |
| SCHEMBL294104 | 0.75 | LMNA (0.44) | KDM4ELMNAACHE | |
| SCHEMBL4398942 | 0.75 | BCHE (0.47) | CYP2D6TSHRKDM4EHDAC1BCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002046187-A1 | ANALGESIC DIAZABICYCLO[4.3.0]NONANES | SEPRACOR, INC. (US) | 2002-06-13 | — | — | WO | disclosed |