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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | MC3R | P41968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1919145 | 0.98 | KDM4E (0.33) | KDM4ENAPRTHCAR2HSP90AA1ADORA3 | |
| SCHEMBL10715470 | 0.78 | HSP90AA1 (0.33) | HSP90AA1 | |
| SCHEMBL2558175 | 0.77 | HSP90AA1 (0.36) | KDM4ENAPRTHCAR2HSP90AA1ADORA3 | |
| SCHEMBL8427620 | 0.73 | LMNA (0.37) | KDM4ENAPRTHCAR2HSP90AA1ADORA3 | |
| SCHEMBL11870172 | 0.73 | — | — | |
| SCHEMBL28873638 | 0.73 | KDM4E (0.33) | KDM4ENAPRTHCAR2HSP90AA1 | |
| Bromide SCHEMBL22094891 | 0.72 | SLC6A3 (0.44) | KDM4ETSHRADRA1A | |
| Bromide SCHEMBL1696091 | 0.72 | SLC6A3 (0.44) | KDM4ETSHRADRA1A | |
| SCHEMBL12203333 | 0.71 | KDM4E (0.31) | KDM4ENAPRTHCAR2HSP90AA1ADORA3 | |
| SCHEMBL10716939 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2999701-A1 | 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS | Hoffmann-La Roche Inc. (US) | 2016-03-30 | — | — | EP | disclosed |
| EP-2885306-A1 | IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE | F. Hoffmann-La Roche AG (CH) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014026881-A1 | IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-20 | — | — | WO | disclosed |