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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 6/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11738746 | 0.99 | SIGMAR1 (0.42) | SIGMAR1OPRD1KCNH2ALDH1A1POLB | |
| SCHEMBL11742682 | 0.84 | HTR2A (0.38) | SIGMAR1AKT1ALDH1A1POLBMAPK1 | |
| SCHEMBL11730973 | 0.81 | SIGMAR1 (0.45) | SIGMAR1OPRD1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL4363631 | 0.77 | OPRD1 (0.50) | SIGMAR1OPRD1KCNH2 | |
| SCHEMBL29705809 | 0.77 | OPRD1 (0.50) | SIGMAR1OPRD1KCNH2 | |
| SCHEMBL11737034 | 0.77 | RAB9A (0.35) | SIGMAR1ALDH1A1 | |
| SCHEMBL11870107 | 0.73 | SIGMAR1 (0.43) | SIGMAR1OPRD1KCNH2 | |
| SCHEMBL11686154 | 0.73 | PRCP (0.43) | SIGMAR1OPRD1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL30508374 | 0.73 | SIGMAR1 (0.46) | SIGMAR1OPRD1KCNH2 | |
| SCHEMBL11782034 | 0.73 | SIGMAR1 (0.46) | SIGMAR1OPRD1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4031224-A | 1,3-Dihydro-heteroarylspiro (isobenzofuran)s | AMERICAN HOECHST CORPORATION (US) | 1977-06-21 | — | — | US | disclosed |