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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL9689165 | 0.99 | MKNK1 (0.45) | MKNK1MKNK2PTPN11BRD4ATAD2 | |
| Hydrochloric Acid SCHEMBL9688928 | 0.97 | MKNK1 (0.44) | MKNK1MKNK2PTPN11BRD4ATAD2 | |
| Hydrochloric Acid SCHEMBL9690717 | 0.97 | MKNK1 (0.44) | MKNK1MKNK2PTPN11BRD4ATAD2 | |
| SCHEMBL9044459 | 0.90 | PTPN11 (0.48) | MKNK1PTPN11BRD4ATAD2 | |
| SCHEMBL9535416 | 0.85 | PIM1 (0.48) | MKNK1PTPN11CHEK2PRKCZ | |
| Hydrochloric Acid SCHEMBL9689129 | 0.84 | PIM1 (0.47) | MKNK1PTPN11CHEK2PRKCZ | |
| SCHEMBL9690640 | 0.79 | CHEK1 (0.52) | CHEK1 | |
| Hydrochloric Acid SCHEMBL9690626 | 0.78 | CHEK1 (0.51) | CHEK1 | |
| Hydrochloric Acid SCHEMBL9691095 | 0.78 | CHEK1 (0.51) | CHEK1 | |
| SCHEMBL9534992 | 0.76 | CDC7 (0.54) | BRD4ATAD2IDH2 |
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-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |
| EP-0297661-A1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-04 | — | — | EP | disclosed |