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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.34 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL179261 | 0.96 | — | — | |
| SCHEMBL4915083 | 0.96 | — | — | |
| SCHEMBL23988087 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL627257 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL1106426 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL23251538 | 0.93 | CYP2B6 (0.37) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL24928774 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL24928097 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL24927970 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL24928198 | 0.93 | CYP2B6 (0.42) | CYP2B6GRIN2DGRIN3BCHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118459350-A | Method for preparing butanediamine by hydrogenation of butanedinitrile in pyrrolidine ionic liquid solvent | 中国天辰工程有限公司 | 2024-08-09 | — | — | CN | disclosed |