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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6542495 | 0.99 | HRH3 (0.42) | HRH3CHRNA7HTR3AKCNH2RIPK2 | |
| Bromide SCHEMBL5675094 | 0.83 | CHRNA7 (0.40) | HRH3CHRNA7HTR3A | |
| SCHEMBL5675103 | 0.82 | CHRNA7 (0.41) | HRH3CHRNA7HTR3A | |
| SCHEMBL5358073 | 0.75 | CHRNA7 (0.36) | CHRNA7HTR3ACHRM4CHRM5CHRM1 | |
| SCHEMBL6600859 | 0.74 | HRH3 (0.46) | HRH3CHRNA7HTR3A | |
| SCHEMBL6601516 | 0.74 | HRH3 (0.48) | HRH3HTR3ACHRNB2CHRNA4 | |
| SCHEMBL6604301 | 0.73 | HTR3A (0.40) | CHRNA7HTR3AKCNH2 | |
| Oxalic Acid SCHEMBL5675074 | 0.69 | HDAC3 (0.48) | HRH3 | |
| Oxalic Acid SCHEMBL5673576 | 0.69 | UGCG (0.43) | HRH3HTR3A | |
| SCHEMBL5107445 | 0.69 | CHRNB1 (0.38) | CHRNA7HTR3AKCNH2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7001902-B2 | 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane derivatives, preparation and therapeutic use thereof | SANOTL-AVENTIS (FR) | 2006-02-21 | — | — | US | disclosed |