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 | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3537070 | 0.99 | PDK1 (0.61) | PDK1NPC1RAB9ASMN1; SMN2LIMK1 | |
| SCHEMBL13314813 | 0.99 | PDK1 (0.61) | PDK1NPC1RAB9ASMN1; SMN2LIMK1 | |
| Bromide SCHEMBL3055052 | 0.88 | PDK1 (0.64) | PDK1NPC1RAB9ASMN1; SMN2LIMK1 | |
| SCHEMBL1032199 | 0.86 | PDK1 (0.65) | PDK1NPC1RAB9ASMN1; SMN2LIMK1 | |
| SCHEMBL1030466 | 0.85 | PDK1 (0.64) | PDK1NPC1RAB9ASMN1; SMN2PARP1 | |
| SCHEMBL6210026 | 0.82 | RAB9A (0.44) | PDK1NPC1RAB9ASMN1; SMN2PARP1 | |
| SCHEMBL3537545 | 0.81 | PDK1 (0.56) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL13314816 | 0.80 | RAB9A (0.50) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL3533425 | 0.80 | RAB9A (0.50) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| Bromide SCHEMBL1030770 | 0.80 | PDK1 (0.70) | PDK1LIMK1MAPTLMNAHSD17B10 |
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-1730129-B1 | INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE | DIPHARMA FRANCIS SRL (IT) | 2011-01-19 | — | — | EP | disclosed |