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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.68 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.68 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.68 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.68 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.68 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.68 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.68 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.68 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.68 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.68 |
| ▸ | ESR1 | P03372 | 17/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.68 |
| ▸ | MLNR | O43193 | 1/20 | 0.68 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.68 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.68 |
| ▸ | DRD2 | P14416 | 1/20 | 0.68 |
| ▸ | NPY1R | P25929 | 1/20 | 0.68 |
| ▸ | HTR2A | P28223 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL16701296 | 0.99 | ESR1 (0.69) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL3258716 | 0.99 | ESR1 (0.69) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL115735 | 0.99 | ESR1 (0.69) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL3801089 | 0.92 | ESR1 (0.61) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL3713135 | 0.88 | ESR1 (0.63) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL23350302 | 0.84 | ESR1 (0.66) | ESR1ESR2MLNRNR1I2NR3C1 | |
| Lasofoxifene SCHEMBL3107268 | 0.82 | ESR1 (0.98) | ESR1ESR2MLNRNR1I2NR3C1 | |
| Lasofoxifene SCHEMBL3107239 | 0.82 | ESR1 (0.98) | ESR1ESR2MLNRNR1I2NR3C1 | |
| Lasofoxifene SCHEMBL3107255 | 0.82 | ESR1 (0.98) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL19235625 | 0.81 | ESR1 (0.73) | ESR1ESR2MLNRNR1I2NR3C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2164836-A2 | METHOD FOR THE PREPARATION OF LASOFOXIFENE AND CRYSTALLINE INTERMEDIATES USED THEREIN | Zentiva, k.s. (CZ) | 2010-03-24 | — | — | EP | claimed |
| WO-2008145075-A2 | METHOD FOR THE PREPARATION OF LASOFOXIFENE AND CRYSTALLINE INTERMEDIATES USED THEREIN | ZENTIVA, A.S. (CZ) | 2008-12-04 | — | — | WO | claimed |
| EP-2164836-A2 | METHOD FOR THE PREPARATION OF LASOFOXIFENE AND CRYSTALLINE INTERMEDIATES USED THEREIN | Zentiva, k.s. (CZ) | 2010-03-24 | — | — | EP | disclosed |
| WO-2008145075-A2 | METHOD FOR THE PREPARATION OF LASOFOXIFENE AND CRYSTALLINE INTERMEDIATES USED THEREIN | ZENTIVA, A.S. (CZ) | 2008-12-04 | — | — | WO | disclosed |