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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 8/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 SCHEMBL5260388 | 0.90 | TP53 (0.62) | HDAC3RAB9ATP53RECQLKDR | |
| Bromide SCHEMBL5256184 | 0.85 | HDAC3 (0.52) | HDAC3RAB9ATP53RECQLKDR | |
| Bromide SCHEMBL5262644 | 0.84 | KDR (0.51) | RAB9AKDRNOTUMCTNNB1WNT3A | |
| SCHEMBL5231962 | 0.79 | HDAC3 (0.56) | HDAC3RAB9ATP53RECQLAIMP2 | |
| SCHEMBL24814483 | 0.78 | HDAC3 (0.58) | HDAC3RAB9ATP53RECQLAIMP2 | |
| SCHEMBL4030946 | 0.77 | HDAC3 (0.49) | HDAC3RAB9ATP53RECQLKDR | |
| SCHEMBL1163335 | 0.76 | HDAC3 (0.59) | HDAC3RAB9ATP53RECQLAIMP2 | |
| SCHEMBL29440893 | 0.76 | HDAC3 (0.59) | HDAC3RAB9ATP53RECQLAIMP2 | |
| SCHEMBL25139422 | 0.75 | HDAC3 (0.55) | HDAC3RAB9AAIMP2ANO1ALDH1A1 | |
| SCHEMBL5340760 | 0.75 | HDAC3 (0.60) | HDAC3RAB9ATP53RECQLAIMP2 |
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 |