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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 SCHEMBL11793818 | 0.88 | TDP1 (0.52) | CYP3A4TDP1OPRM1DRD3LMNA | |
| Bromide SCHEMBL9531320 | 0.88 | LPL (0.49) | TDP1DRD2OPRM1DRD3OPRD1 | |
| Bromide SCHEMBL5007355 | 0.86 | MAOA (0.50) | CYP3A4TDP1OPRK1MAOAMAOB | |
| SCHEMBL7531636 | 0.84 | LPL (0.51) | DRD2OPRM1DRD3OPRD1OPRK1 | |
| SCHEMBL21513145 | 0.82 | TP53 (0.52) | CYP3A4TDP1KIF11LMNAMAPT | |
| SCHEMBL15655985 | 0.80 | CYP3A4 (0.52) | CYP3A4TDP1LMNAMAPTMAOA | |
| Bromide SCHEMBL9762632 | 0.79 | LTA4H (0.42) | CYP3A4TDP1MAOAMAOBESR1 | |
| SCHEMBL11650730 | 0.78 | LPL (0.56) | CYP3A4TDP1LMNATP53ESR1 | |
| Bromide SCHEMBL160231 | 0.77 | ALDH1A1 (0.50) | CYP3A4TDP1OPRM1OPRD1OPRK1 | |
| SCHEMBL10982048 | 0.76 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3104707-A1 | TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS | Albert Einstein College of Medicine, Inc. (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015123101-A1 | TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2015-08-20 | — | — | WO | disclosed |