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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.55 |
| ▸ | GRM2 | Q14416 | 7/20 | 0.53 |
| ▸ | DRD4 | P21917 | 6/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7773414 | 0.99 | PHGDH (0.55) | PHGDHGRM2DRD4DRD2KDM4E | |
| Bromide SCHEMBL7769243 | 0.79 | PHGDH (0.55) | PHGDHGRM2DRD4DRD2KDM4E | |
| SCHEMBL7859187 | 0.78 | PHGDH (0.58) | PHGDHGRM2DRD4DRD2MAPT | |
| SCHEMBL7773410 | 0.78 | PHGDH (0.55) | PHGDHGRM2DRD4DRD2KDM4E | |
| Bromide SCHEMBL7525103 | 0.74 | PHGDH (0.64) | PHGDHGRM2DRD4DRD2OPRM1 | |
| SCHEMBL7859184 | 0.74 | PHGDH (0.58) | PHGDHGRM2DRD4DRD2KDM4E | |
| SCHEMBL7519980 | 0.73 | PHGDH (0.65) | PHGDHGRM2DRD4DRD2OPRM1 | |
| SCHEMBL9527755 | 0.71 | ALDH1A1 (0.57) | MAPTSMN1; SMN2SIGMAR1 | |
| SCHEMBL7520382 | 0.71 | DHFR (0.44) | KDM4EMAPTSMN1; SMN2SIGMAR1HTR7 | |
| SCHEMBL20063236 | 0.71 | PHGDH (1.00) | PHGDH |
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 |