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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.32 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL812642 | 0.79 | TAAR1 (0.35) | CYP2D6CYP1A2TAAR1RIPK1NOS2 | |
| SCHEMBL5292525 | 0.77 | TAAR1 (0.37) | CYP2D6CYP1A2TAAR1RIPK1ADRA2A | |
| Hydrochloric Acid SCHEMBL5092624 | 0.75 | ALDH1A1 (0.38) | CYP2D6CYP1A2TAAR1RIPK1ADRA2A | |
| Iodide SCHEMBL5085038 | 0.75 | TAAR1 (0.35) | CYP2D6CYP1A2TAAR1RIPK1ADRA2A | |
| Phosphine SCHEMBL7400153 | 0.75 | CYP2D6 (0.39) | CYP2D6CYP1A2TAAR1AOC3RIPK1 | |
| SCHEMBL8097109 | 0.74 | TAAR1 (0.40) | CYP2D6TAAR1AOC3RIPK1NOS2 | |
| SCHEMBL14367700 | 0.74 | TAAR1 (0.40) | CYP2D6TAAR1AOC3RIPK1NOS2 | |
| SCHEMBL10360017 | 0.73 | RIPK1 (0.45) | CYP2D6TAAR1AOC3RIPK1ADRA2A | |
| SCHEMBL27533645 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP1A2TAAR1RIPK1HIF1A | |
| SCHEMBL8755563 | 0.72 | TSHR (0.36) | CYP2D6TAAR1ALDH1A1 |
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-0587767-A1 | HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS | SRI INTERNATIONAL (US) | 1994-03-23 | — | — | EP | disclosed |
| US-5268361-A | Containing amide groups | SRI INTERNATIONAL (US) | 1993-12-07 | — | — | US | disclosed |
| WO-1992021696-A1 | HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS | SRI INTERNATIONAL (US) | 1992-12-10 | — | — | WO | disclosed |