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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 SCHEMBL3623042 | 1.00 | BCL2 (0.41) | BCL2SLC6A4MAPK1BLMPMP22 | |
| SCHEMBL907577 | 0.99 | BCL2 (0.42) | BCL2SLC6A4MAPK1BLMPMP22 | |
| SCHEMBL907571 | 0.99 | BCL2 (0.42) | BCL2SLC6A4MAPK1BLMPMP22 | |
| SCHEMBL679 | 0.99 | BCL2 (0.42) | BCL2SLC6A4MAPK1BLMPMP22 | |
| SCHEMBL29414628 | 0.99 | BCL2 (0.42) | BCL2SLC6A4MAPK1BLMPMP22 | |
| SCHEMBL29414619 | 0.99 | BCL2 (0.42) | BCL2SLC6A4MAPK1BLMPMP22 | |
| Hydrochloric Acid SCHEMBL26647634 | 0.98 | BCL2 (0.41) | BCL2SLC6A4MAPK1BLMPMP22 | |
| Bromide SCHEMBL29705219 | 0.96 | SLC6A4 (0.39) | BCL2SLC6A4MAPK1BLMPMP22 | |
| Bromide SCHEMBL28735809 | 0.96 | SLC6A4 (0.39) | BCL2SLC6A4MAPK1BLMPMP22 | |
| Oxalic Acid SCHEMBL21808124 | 0.94 | SLC6A4 (0.44) | BCL2SLC6A4MAPK1BLMPMP22 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119080725-A | Preparation method of citalopram impurity | 国药集团工业有限公司 | 2024-12-06 | — | — | CN | claimed |
| CN-109988083-B | Preparation method of high-optical-purity escitalopram oxalate intermediate S-configuration diol | 北京哈三联科技有限责任公司 | 2022-04-15 | — | — | CN | claimed |
| CN-119080725-A | Preparation method of citalopram impurity | 国药集团工业有限公司 | 2024-12-06 | — | — | CN | disclosed |
| CN-119080725-A | Preparation method of citalopram impurity | 国药集团工业有限公司 | 2024-12-06 | — | — | CN | disclosed |
| CN-116568667-A | Purification method of citalopram key intermediate | 浙江华海药业股份有限公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-112409212-B | Preparation method of citalopram diol intermediate hydrobromide, citalopram diol intermediate hydrobromide and citalopram | 四川新迪医药化工有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-109988083-B | Preparation method of high-optical-purity escitalopram oxalate intermediate S-configuration diol | 北京哈三联科技有限责任公司 | 2022-04-15 | — | — | CN | disclosed |