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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.60 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.55 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6030554 | 0.98 | SIGMAR1 (0.62) | SIGMAR1GFERALDH1A1PKMMEN1 | |
| Bromide SCHEMBL6578060 | 0.88 | ALDH1A1 (0.71) | SIGMAR1ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL6029911 | 0.87 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2AMAPTDRD2 | |
| SCHEMBL6030381 | 0.87 | ALDH1A1 (0.72) | SIGMAR1ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL28313258 | 0.85 | MAPT (0.68) | SIGMAR1ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL5542069 | 0.85 | DRD4 (0.66) | SIGMAR1ALDH1A1PKMKMT2ASMN1; SMN2 | |
| SCHEMBL11549500 | 0.85 | SIGMAR1 (0.60) | SIGMAR1GFERALDH1A1PKMKMT2A | |
| SCHEMBL5542061 | 0.85 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL11923385 | 0.85 | SIGMAR1 (0.79) | SIGMAR1ALDH1A1PKMKMT2ASMN1; SMN2 | |
| SCHEMBL14362730 | 0.84 | HTR3E (0.63) | SIGMAR1GFERALDH1A1MEN1KMT2A |
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 |