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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27668666 | 0.79 | KDM4E (0.41) | KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A | |
| Bromide SCHEMBL9522826 | 0.76 | KDM4E (0.38) | KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4746938 | 0.75 | CCR1 (0.40) | KDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL21495093 | 0.75 | CCR1 (0.40) | KDM4ERAB9AALDH1A1MAPT | |
| Bromide SCHEMBL5196642 | 0.75 | ALDH1A1 (0.37) | KDM4ENPC1ALDH1A1 | |
| Bromide SCHEMBL3873854 | 0.74 | APLNR (0.41) | — | |
| SCHEMBL868355 | 0.74 | KDM4E (0.39) | KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4436320 | 0.73 | ALDH1A1 (0.38) | KDM4ESMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL5210717 | 0.72 | KDM4E (0.41) | KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5513086 | 0.72 | KDM4E (0.43) | KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012177956-A1 | PPAR-SPARING COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND OTHER METABOLIC DISEASES | METABOLIC SOLUTIONS DEVELOPMENT COMAPNY, LLC (US) | 2012-12-27 | — | — | WO | disclosed |