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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13851094 | 0.97 | LMNA (0.56) | LMNATLR8NR1I2AHRALDH1A1 | |
| SCHEMBL2234353 | 0.86 | LMNA (0.55) | LMNATLR8NR1I2AHRALDH1A1 | |
| SCHEMBL10161427 | 0.77 | LMNA (0.46) | LMNATLR8NR1I2AHRALDH1A1 | |
| SCHEMBL12158710 | 0.76 | LMNA (0.41) | LMNAALDH1A1KDM4EGAAHPGD | |
| SCHEMBL8663843 | 0.76 | LMNA (1.00) | LMNATLR8NR1I2AHRALDH1A1 | |
| SCHEMBL1983684 | 0.75 | NR1I2 (0.47) | LMNATLR8NR1I2AHRALDH1A1 | |
| SCHEMBL2396549 | 0.75 | LMNA (0.44) | LMNATLR8NR1I2AHRALDH1A1 | |
| SCHEMBL1321038 | 0.72 | LMNA (0.43) | LMNATLR8ALDH1A1KDM4EIDO1 | |
| SCHEMBL10918419 | 0.72 | ALDH1A1 (0.43) | LMNAALDH1A1KDM4EDHFRCYP1A2 | |
| SCHEMBL11775855 | 0.72 | LMNA (0.52) | LMNATLR8NR1I2AHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873317-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997013759-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-04-17 | — | — | WO | disclosed |