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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 5/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 4/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 SCHEMBL9213394 | 0.84 | ALOX15 (0.38) | SLC1A1SLC1A3SLC1A2SLC7A5GLO1 | |
| Bromide SCHEMBL9295134 | 0.82 | CA2 (0.49) | SLC1A1SLC1A3SLC1A2CA1CA2 | |
| Bromide SCHEMBL9295139 | 0.82 | CA2 (0.49) | SLC1A1SLC1A3SLC1A2CA1CA2 | |
| SCHEMBL9203696 | 0.79 | CA2 (0.50) | SLC1A1SLC1A3SLC1A2CA1CA2 | |
| SCHEMBL4753756 | 0.79 | CA1 (0.42) | CA1CA2MEN1KMT2ACHRM1 | |
| SCHEMBL4753760 | 0.79 | CA1 (0.42) | CA1CA2MEN1KMT2ACHRM1 | |
| SCHEMBL15015843 | 0.79 | CA1 (0.42) | CA1CA2MEN1KMT2ACHRM1 | |
| SCHEMBL8982021 | 0.78 | GLO1 (0.48) | SLC1A1SLC1A3SLC1A2SLC7A5GLO1 | |
| SCHEMBL4902637 | 0.78 | GLO1 (0.48) | SLC1A1SLC1A3SLC1A2SLC7A5GLO1 | |
| SCHEMBL19525723 | 0.78 | GLO1 (0.48) | SLC1A1SLC1A3SLC1A2SLC7A5GLO1 |
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 3 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 |
| US-5322942-A | Deprotecting and hydrolyzing protected aspartic acid diester, reacting with nitrosylating agent in presence of hydrogen halide, esterifying, reacting with acyl aryl derivative | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-06-21 | — | — | US | 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 |