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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26746 | 0.84 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL27712194 | 0.81 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL10138375 | 0.77 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL18866585 | 0.76 | MAPT (0.44) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL19339945 | 0.76 | MAPT (0.44) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL198046 | 0.76 | RIPK1 (0.43) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL28701698 | 0.76 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| Bromide SCHEMBL29154792 | 0.75 | EPHX2 (0.50) | SLC6A2SLC6A4SLC6A3KIF11MEN1 | |
| SCHEMBL5285766 | 0.74 | CA1 (0.61) | MEN1KMT2AKDM4ECYP3A4MAPT | |
| SCHEMBL317934 | 0.74 | ACHE (0.50) | SLC6A2SLC6A4SLC6A3KIF11ACACB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102869667-A | Tricyclic pyridine derivatives, medicaments containing these compounds, their use and processes for their preparation | BOEHRINGER INGELHEIM INT | 2013-01-09 | — | — | CN | disclosed |
| CN-102711470-A | Novel tricyclic compounds | ABBOTT LAB | 2012-10-03 | — | — | CN | disclosed |