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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 7/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27878319 | 0.99 | BCL2 (0.48) | BCL2HTR2AHTR2CADRA1AOPRK1 | |
| SCHEMBL28313502 | 0.94 | BCL2 (0.52) | BCL2HTR2AHTR2CADRA1AOPRK1 | |
| SCHEMBL28313504 | 0.94 | BCL2 (0.52) | BCL2HTR2AHTR2CADRA1AOPRK1 | |
| Cyanide SCHEMBL28313506 | 0.89 | BCL2 (0.45) | BCL2HTR2AHTR2CADRA1AOPRK1 | |
| Bromide SCHEMBL3623042 | 0.84 | BCL2 (0.41) | BCL2HTR2AHTR2CADRA1AKCNH2 | |
| Bromide SCHEMBL29705204 | 0.84 | BCL2 (0.41) | BCL2HTR2AHTR2CADRA1AKCNH2 | |
| SCHEMBL29414619 | 0.83 | BCL2 (0.42) | BCL2HTR2AHTR2CADRA1AKCNH2 | |
| SCHEMBL679 | 0.83 | BCL2 (0.42) | BCL2HTR2AHTR2CADRA1AKCNH2 | |
| SCHEMBL907577 | 0.83 | BCL2 (0.42) | BCL2HTR2AHTR2CADRA1AKCNH2 | |
| SCHEMBL29414628 | 0.83 | BCL2 (0.42) | BCL2HTR2AHTR2CADRA1AKCNH2 |
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-1830952-A | Process for preparing intermediate of citalopram | GAO RONG (CN) | 2006-09-13 | — | — | CN | claimed |
| CN-1830952-A | Process for preparing intermediate of citalopram | GAO RONG (CN) | 2006-09-13 | — | — | CN | disclosed |