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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TOP1 | P11387 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL431983 | 0.98 | NPSR1 (0.50) | NPSR1TOP1HDAC3HDAC4HDAC1 | |
| SCHEMBL11072301 | 0.96 | NPSR1 (0.49) | NPSR1TOP1HDAC3HDAC4HDAC1 | |
| SCHEMBL13587656 | 0.93 | NPSR1 (0.53) | NPSR1TOP1HDAC3HDAC4HDAC1 | |
| SCHEMBL9310464 | 0.91 | NPSR1 (0.56) | NPSR1TOP1HDAC3HDAC4HDAC1 | |
| SCHEMBL4139139 | 0.87 | NPSR1 (0.44) | NPSR1TOP1HDAC3HDAC4HDAC1 | |
| SCHEMBL431068 | 0.84 | HSP90AA1 (0.38) | NPSR1TOP1HDAC3HDAC4HDAC1 | |
| Potassium Ion SCHEMBL5386445 | 0.83 | HDAC3 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11072297 | 0.83 | HDAC3 (0.50) | NPSR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10666125 | 0.80 | POLB (0.49) | SMN1; SMN2MAPTALDH1A1PPARGKMT2A | |
| SCHEMBL11663970 | 0.79 | ALDH1A1 (0.42) | NPSR1MAPK1SMN1; SMN2MAPTALDH1A1 |
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-2012011128-A1 | PREPARATION OF PROSTAGLANDIN DERIVATIVES | APTUIT LAURUS PRIVATE LIMITED (IN) | 2012-01-26 | — | — | WO | disclosed |