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 | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.75 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.75 |
| ▸ | MAPT | P10636 | 9/20 | 0.73 |
| ▸ | TP53 | P04637 | 4/20 | 0.73 |
| ▸ | MEN1 | O00255 | 4/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.73 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 SCHEMBL22749445 | 0.86 | CYP1A1 (0.65) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| Bromide SCHEMBL22749637 | 0.86 | CYP1A1 (0.65) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| Bromide SCHEMBL29440254 | 0.86 | CYP1A1 (0.65) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| Bromide SCHEMBL22749448 | 0.86 | CYP1A1 (0.65) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| Bromide SCHEMBL29440246 | 0.86 | CYP1A1 (0.65) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| Bromide SCHEMBL29440222 | 0.86 | CYP1A1 (0.65) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| Bromide SCHEMBL3622970 | 0.86 | CYP1A1 (1.00) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| SCHEMBL22761718 | 0.85 | ALDH1A1 (0.64) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| SCHEMBL13650897 | 0.85 | MAPT (0.64) | CYP1A1CYP1B1MAPTTP53MEN1 | |
| SCHEMBL22761628 | 0.85 | MEN1 (0.64) | CYP1A1CYP1B1MAPTTP53MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021210-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-02-21 | — | — | WO | disclosed |