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 | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.61 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.61 |
| ▸ | NAMPT | P43490 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11248504 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL2868723 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL5694314 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL9763677 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL11083072 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL25330125 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL2356495 | 0.99 | NAAA (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL2128698 | 0.97 | HDAC3 (0.68) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL29708225 | 0.93 | HDAC3 (0.74) | NAAAHDAC3HDAC1HDAC2RAB9A | |
| SCHEMBL3241002 | 0.93 | HDAC3 (0.74) | NAAAHDAC3HDAC1HDAC2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0277270-B1 | N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions | PUETTER MEDICE CHEM PHARM (DE) | 1996-12-27 | — | — | EP | disclosed |