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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.79 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.79 |
| ▸ | MAOA | P21397 | 1/20 | 0.79 |
| ▸ | MAOB | P27338 | 1/20 | 0.79 |
| ▸ | DHPS | P49366 | 1/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL689587 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28414629 | 0.94 | CYP1A2 (0.79) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| Agmatine SCHEMBL195497 | 0.88 | — | — | |
| Agmatine SCHEMBL1738246 | 0.86 | CYP1A2 (0.94) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| SCHEMBL29454036 | 0.86 | DHPS (1.00) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| SCHEMBL6698421 | 0.86 | DHPS (1.00) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| SCHEMBL6700147 | 0.86 | DHPS (1.00) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| SCHEMBL6698306 | 0.86 | DHPS (1.00) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| SCHEMBL6693210 | 0.86 | DHPS (1.00) | CYP1A2ALOX15NFKB1MAOAMAOB | |
| Arcaine SCHEMBL1737639 | 0.81 | CYP1A2 (0.77) | CYP1A2ALOX15NFKB1MAOAMAOB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0074787-B1 | RENALLY ACTIVE DIPEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1985-03-27 | — | — | EP | disclosed |
| US-4448972-A | Adamantyl containing intermediates | SMITHKLINE BECKMAN CORPORATION (US) | 1984-05-15 | — | — | US | disclosed |
| US-4395401-A | Renally active dipeptides | SMITHKLINE BECKMAN CORPORATION (US) | 1983-07-26 | — | — | US | disclosed |
| US-4387049-A | Adamantyl containing peptides | SMITHKLINE BECKMAN CORPORATION (US) | 1983-06-07 | — | — | US | disclosed |
| EP-0074787-A1 | Renally active dipeptides | SMITHKLINE BECKMAN CORPORATION (US) | 1983-03-23 | — | — | EP | disclosed |