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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9210496 | 0.84 | SLC1A1 (0.42) | SLC7A5SLC1A3SLC1A2SLC1A1GLO1 | |
| SCHEMBL4753769 | 0.79 | ALDH1A1 (0.42) | ALOX15ALDH1A1LMNAHSD17B10CYP2D6 | |
| SCHEMBL4753767 | 0.79 | ALDH1A1 (0.42) | ALOX15ALDH1A1LMNAHSD17B10CYP2D6 | |
| SCHEMBL6009385 | 0.79 | ALOX15 (0.44) | ALOX15SLC7A5SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL15015721 | 0.79 | ALDH1A1 (0.42) | ALOX15ALDH1A1LMNAHSD17B10CYP2D6 | |
| SCHEMBL8982021 | 0.78 | GLO1 (0.48) | SLC7A5SLC1A3SLC1A2SLC1A1GLO1 | |
| SCHEMBL19525723 | 0.78 | GLO1 (0.48) | SLC7A5SLC1A3SLC1A2SLC1A1GLO1 | |
| SCHEMBL4902637 | 0.78 | GLO1 (0.48) | SLC7A5SLC1A3SLC1A2SLC1A1GLO1 | |
| SCHEMBL30626325 | 0.78 | GLO1 (0.48) | SLC7A5SLC1A3SLC1A2SLC1A1GLO1 | |
| SCHEMBL235849 | 0.78 | ALDH1A1 (0.50) | ALOX15GLO1ALDH1A1LMNAHSD17B10 |
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-0643710-A1 | SYNTHESIS OF OPTICALLY ACTIVE LACTONES FROM L-ASPARTIC ACID AND INTERMEDIATES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-03-22 | — | — | EP | disclosed |
| WO-1992021675-A1 | SYNTHESIS OF OPTICALLY ACTIVE LACTONES FROM L-ASPARTIC ACID AND INTERMEDIATES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-12-10 | — | — | WO | disclosed |