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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 4/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
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 SCHEMBL19971054 | 1.00 | KMT2A (0.44) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL15802471 | 0.98 | KMT2A (0.46) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL15802533 | 0.84 | IDO1 (0.40) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL5286711 | 0.83 | KDM4E (0.59) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL25184594 | 0.83 | KDM4E (0.59) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL19971042 | 0.82 | IDO1 (0.43) | KMT2AMEN1KIF11LTA4HIDO1 | |
| SCHEMBL15804495 | 0.82 | IDO1 (0.43) | KMT2AMEN1KIF11LTA4HIDO1 | |
| SCHEMBL31370243 | 0.79 | TAAR1 (0.50) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL15802473 | 0.78 | HIF1A (0.52) | KMT2AKDM4EHIF1AMEN1LMNA | |
| SCHEMBL5324039 | 0.78 | SLC1A3 (0.54) | KMT2AKIF11TDP1GRIK1 |
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-2931712-B1 | 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS | PARION SCIENCES INC (US) | 2018-03-21 | — | — | EP | disclosed |