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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.60 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL130515 | 0.97 | — | — | |
| SCHEMBL29441288 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL20593640 | 0.94 | NFE2L2 (0.60) | NFE2L2RAPGEF4ACHECYP1A2CYP2A6 | |
| SCHEMBL19260314 | 0.89 | NFE2L2 (0.56) | NFE2L2RAPGEF4ACHECYP1A2CYP2A6 | |
| SCHEMBL12889477 | 0.79 | NFE2L2 (0.47) | NFE2L2PTGS2 | |
| SCHEMBL12826296 | 0.79 | NFE2L2 (0.47) | NFE2L2PTGS2 | |
| SCHEMBL13830012 | 0.77 | NISCH (0.52) | NFE2L2ACHECYP1A2CYP2A6TDP1 | |
| SCHEMBL30167752 | 0.77 | — | — | |
| SCHEMBL29901001 | 0.77 | NISCH (0.52) | NFE2L2ACHECYP1A2CYP2A6TDP1 | |
| SCHEMBL91411 | 0.77 | — | — |
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-104870422-B | Amine derivative or its salt | 富士胶片富山化学株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-104870422-A | Novel amine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |