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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TKT | P29401 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL260055 | 0.98 | CYP1A2 (0.37) | CYP1A2HRH2HRH1HRH4COMT | |
| SCHEMBL1843654 | 0.82 | COMT (0.39) | CYP1A2HRH2HRH1HRH4COMT | |
| SCHEMBL14268109 | 0.81 | CYP1A2 (0.44) | CYP1A2HRH2HRH1HRH4FBP1 | |
| SCHEMBL15796727 | 0.79 | COMT (0.42) | CYP1A2HRH2HRH1HRH4COMT | |
| SCHEMBL27860995 | 0.77 | PTGDR2 (0.36) | CYP1A2HRH2HRH1HRH4FBP1 | |
| Bromide SCHEMBL27489256 | 0.76 | CYP1A2 (0.38) | CYP1A2HRH2HRH1HRH4FBP1 | |
| SCHEMBL13577896 | 0.76 | CYP1A2 (0.35) | CYP1A2HRH2HRH1HRH4COMT | |
| SCHEMBL261442 | 0.75 | SRC (0.47) | CYP1A2HRH2HRH1HRH4SRC | |
| SCHEMBL263398 | 0.75 | ALDH1A1 (0.45) | CYP1A2HRH2HRH1HRH4FBP1 | |
| SCHEMBL28790541 | 0.75 | SRC (0.34) | CYP1A2HRH2HRH1HRH4SRC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007015929-A2 | EPOTHILONE ANALOGUES | UNIVERSITY OF TOLEDO (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006110918-A1 | PYRROLE COMPOUNDS AND USES THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2006-10-19 | — | — | WO | disclosed |