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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.47 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.46 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7773410 | 0.99 | PHGDH (0.55) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| SCHEMBL7859187 | 0.80 | PHGDH (0.58) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| Bromide SCHEMBL7769245 | 0.79 | PHGDH (0.55) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| Bromide SCHEMBL7525103 | 0.78 | PHGDH (0.64) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| SCHEMBL7859184 | 0.78 | PHGDH (0.58) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| SCHEMBL7773414 | 0.78 | PHGDH (0.55) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| SCHEMBL7519980 | 0.77 | PHGDH (0.65) | PHGDHDRD4GRM2SIGMAR1MAPT | |
| SCHEMBL11284379 | 0.75 | IGF1R (0.60) | SIGMAR1MAPTSMN1; SMN2TP53ADRA1A | |
| SCHEMBL15748232 | 0.73 | SIGMAR1 (0.59) | PHGDHSIGMAR1DRD3DRD2ADRA1A | |
| SCHEMBL17471515 | 0.73 | DRD3 (0.56) | PHGDHDRD4GRM2SIGMAR1MAPT |
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-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |