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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.47 |
| ▸ | WNT3A | P56704 | 3/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5236277 | 0.81 | CYP1A2 (0.52) | CYP1A2CTNNB1WNT3ALOXL2KMT2A | |
| SCHEMBL5239399 | 0.78 | CYP1A2 (0.46) | CYP1A2LOXL2SMN1; SMN2KMT2ARAB9A | |
| SCHEMBL29987166 | 0.77 | CYP1A2 (0.61) | CYP1A2CTNNB1WNT3ALOXL2SMN1; SMN2 | |
| SCHEMBL5239658 | 0.77 | CYP1A2 (0.61) | CYP1A2CTNNB1WNT3ALOXL2SMN1; SMN2 | |
| SCHEMBL6670697 | 0.77 | CYP1A2 (0.60) | CYP1A2LOXL2SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL28234818 | 0.76 | NPC1 (0.47) | CTNNB1WNT3ASMN1; SMN2KMT2ANPC1 | |
| SCHEMBL29959459 | 0.75 | CYP1A2 (0.49) | CYP1A2LOXL2SMN1; SMN2RAB9APDE4A | |
| SCHEMBL5235225 | 0.75 | CYP1A2 (0.49) | CYP1A2LOXL2SMN1; SMN2RAB9APDE4A | |
| Bromide SCHEMBL5256817 | 0.75 | PABPC1 (0.57) | CYP1A2SMN1; SMN2KMT2ANSD2MAPT | |
| SCHEMBL5456634 | 0.75 | CYP1A2 (0.67) | CYP1A2LOXL2SMN1; SMN2KMT2ANSD2 |
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-1578424-A4 | SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | CYTOVIA INC (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1578424-A2 | SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | Cytovia, Inc. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004055163-A2 | SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES | CYTOVIA, INC. (US) | 2004-07-01 | — | — | WO | disclosed |