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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 9/20 | 0.44 |
| ▸ | DRD3 | P35462 | 8/20 | 0.44 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | SCNN1A | P37088 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL26106945 | 0.73 | GRM5 (0.58) | SCNN1AMAPTKDM4EALDH1A1LMNA | |
| SCHEMBL11469206 | 0.72 | PLAU (0.60) | SCNN1AMAPTKDM4EALDH1A1LMNA | |
| N,N-Hexamethyleneamiloride SCHEMBL29384339 | 0.71 | PLAU (0.62) | SCNN1AALDH1A1LMNASMN1; SMN2CYP1A2 | |
| N,N-Hexamethyleneamiloride SCHEMBL7862943 | 0.71 | PLAU (0.62) | SCNN1AALDH1A1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL11460538 | 0.71 | PLAU (0.62) | SCNN1AALDH1A1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL8784027 | 0.71 | KDM4E (0.52) | MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL26104614 | 0.69 | ALDH1A1 (0.47) | SCNN1AMAPTKDM4EALDH1A1LMNA | |
| SCHEMBL26107826 | 0.69 | GRM5 (0.48) | SCNN1AMAPTKDM4EALDH1A1LMNA | |
| SCHEMBL8183506 | 0.66 | HTR1A (0.56) | DRD2DRD3HTR1ADRD4MAPT | |
| Hydrochloric Acid SCHEMBL8100382 | 0.66 | HTR1A (0.55) | DRD2DRD3HTR1ADRD4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0598770-B1 | NEW PYRAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE | BOEHRINGER INGELHEIM KG (DE) | 1997-10-15 | — | — | EP | disclosed |