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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.78 |
| ▸ | HTR7 | P34969 | 6/20 | 0.67 |
| ▸ | DRD4 | P21917 | 4/20 | 0.66 |
| ▸ | DRD2 | P14416 | 3/20 | 0.66 |
| ▸ | DRD3 | P35462 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL6031726 | 0.99 | MAPK1 (0.80) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL9225440 | 0.88 | MAPK1 (0.81) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL6031061 | 0.87 | MAPK1 (0.80) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL19561754 | 0.87 | MAPK1 (0.80) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL18177886 | 0.87 | MAPK1 (1.00) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL9720681 | 0.86 | MAPK1 (0.78) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL21164707 | 0.83 | DRD4 (0.76) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL22422332 | 0.83 | MAPK1 (0.72) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL8646219 | 0.83 | MAPK1 (0.72) | MAPK1HTR7DRD4DRD2DRD3 | |
| SCHEMBL9228414 | 0.82 | DRD4 (0.62) | MAPK1HTR7DRD4DRD2DRD3 |
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-0960106-B1 | 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) | NEUROGEN CORP (US) | 2004-05-06 | — | — | EP | disclosed |
| EP-0960106-A1 | 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) | NEUROGEN CORPORATION (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998033784-A1 | 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) | NEUROGEN CORPORATION (US) | 1998-08-06 | — | — | WO | disclosed |