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 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 4/20 | 0.44 |
| ▸ | CASP5 | P51878 | 4/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229421 | 0.99 | HTR2A (0.56) | HTR2AHTR2CMEN1KMT2AKDM4E | |
| Bromide SCHEMBL27477465 | 0.80 | MAPT (0.49) | KMT2AKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL7592944 | 0.78 | HSP90AB1 (0.66) | MEN1KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL6233366 | 0.78 | MAPT (0.50) | KMT2AKDM4EALDH1A1LMNAMAPT | |
| Bromide SCHEMBL6232431 | 0.75 | HRH3 (0.62) | HTR2CMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6229963 | 0.73 | HRH3 (0.63) | HTR2CMEN1KMT2AKDM4EALDH1A1 | |
| Oxalic Acid SCHEMBL6232933 | 0.72 | HSP90AB1 (0.59) | MEN1KMT2AKDM4EALDH1A1LMNA | |
| Bromide SCHEMBL8180852 | 0.72 | DRD4 (0.62) | HTR2AHTR2CKMT2AKDM4ELMNA | |
| SCHEMBL31204813 | 0.71 | HTR2C (1.00) | HTR2AHTR2CKDM4EALDH1A1CASP1 | |
| SCHEMBL6229169 | 0.71 | DRD4 (0.50) | HTR2CKMT2AKDM4EALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025097-B1 | 1-(2-NAPHTHYL) AND 1-(2-AZANAPHTHYL)-4-(1-PHENYLMETHYL)PIPERAZINES BEING DOPAMINE D 4? RECEPTOR SUBTYPE LIGANDS | NEUROGEN CORP (US) | 2005-04-27 | — | — | EP | disclosed |
| US-6384224-B2 | FOR THERAPY AND PROPHYLAXIS OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASE | NEUROGEN CORPORATION | 2002-05-07 | — | — | US | disclosed |
| US-6331629-B1 | TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-12-18 | — | — | US | disclosed |
| US-6040448-A | USEFUL FOR TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES. | NEUROGEN CORPORATION (US) | 2000-03-21 | — | — | US | disclosed |