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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 2/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 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 | |
|---|---|---|---|---|
| SCHEMBL15775665 | 0.87 | ALDH1A1 (0.40) | ALDH1A1MAPTPARP1 | |
| Bromide SCHEMBL15775323 | 0.82 | TYR (0.41) | MAOBALDH1A1MAPTPARP1BACE1 | |
| Bromide SCHEMBL15775833 | 0.82 | RXFP1 (0.34) | MAOBNOS3ALDH1A1MAPTPARP1 | |
| SCHEMBL15775366 | 0.80 | RAB9A (0.38) | ALDH1A1MAPTPARP1 | |
| Hydrochloric Acid SCHEMBL15775431 | 0.79 | NOTUM (0.38) | MAOBMAPTPARP1ALPL | |
| Bromide SCHEMBL15775523 | 0.79 | LAP3 (0.40) | MAOBPARP1NSD2 | |
| SCHEMBL15775407 | 0.77 | CCNE2 (0.44) | MAOAMAOBALDH1A1MAPTPARP1 | |
| SCHEMBL15775980 | 0.77 | LAP3 (0.41) | MAOBPARP1NSD2 | |
| Bromide SCHEMBL15776793 | 0.75 | BCHE (0.35) | MAOAMAOBALDH1A1MAPTPARP1 | |
| Bromide SCHEMBL15775614 | 0.74 | GRM2 (0.40) | MAOBMAPT |
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-2014087165-A1 | TANKYRASE INHIBITORS | UNIVERSITY OF BATH (GB) | 2014-06-12 | — | — | WO | disclosed |