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 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 4/20 | 0.35 |
| ▸ | FABP7 | O15540 | 1/20 | 0.34 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYBB | P04839 | 1/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL28419152 | 0.99 | NPSR1 (0.38) | NPSR1AVPR1BEGFRERBB2ERBB3 | |
| SCHEMBL28415393 | 0.89 | NTSR1 (0.39) | NPSR1AVPR1BEGFRERBB2ERBB3 | |
| Bromide SCHEMBL30054541 | 0.88 | ALDH1A1 (0.33) | NTSR1ALDH1A1MAPTHPGDMCL1 | |
| SCHEMBL28414900 | 0.87 | MAPT (0.33) | NTSR1ALDH1A1MAPTHPGDMCL1 | |
| Bromide SCHEMBL30053886 | 0.86 | MAPT (0.39) | NPSR1NTSR1ALDH1A1MAPTHPGD | |
| Bromide SCHEMBL28415457 | 0.86 | MAPT (0.39) | NPSR1NTSR1ALDH1A1MAPTHPGD | |
| SCHEMBL28418134 | 0.86 | NTSR1 (0.38) | NPSR1AVPR1BEGFRERBB2ERBB3 | |
| SCHEMBL28412475 | 0.85 | MAPT (0.40) | NPSR1NTSR1ALDH1A1MAPTHPGD | |
| Bromide SCHEMBL30053681 | 0.84 | FABP7 (0.40) | NPSR1AVPR1BEGFRERBB2ERBB3 | |
| SCHEMBL28409905 | 0.83 | FABP7 (0.40) | NPSR1AVPR1BEGFRERBB2ERBB3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111315829-B | Small molecule organic dye | 巴塞尔大学 | 2022-11-04 | — | — | CN | disclosed |