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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 8/20 | 0.58 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.58 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.58 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.58 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.58 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.58 |
| ▸ | CHRM3 known ✓ | P20309 | 6/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | DRD1 | P21728 | 2/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11206692 | 0.99 | CHRM2 (0.59) | CHRM2CHRM1CYP3A4DRD1OPRM1 | |
| SCHEMBL11209786 | 0.93 | CYP3A4 (0.64) | CHRM2CHRM1CYP3A4DRD1OPRM1 | |
| SCHEMBL11208075 | 0.82 | CYP3A4 (0.44) | CHRM2CHRM1CYP3A4DRD1OPRM1 | |
| SCHEMBL11209932 | 0.81 | CHRM2 (0.47) | CHRM2CHRM1CYP3A4DRD3CYP1A2 | |
| SCHEMBL11205449 | 0.79 | TSHR (0.47) | CHRM2CHRM1CYP3A4DRD1OPRM1 | |
| Oxalic Acid SCHEMBL11208083 | 0.78 | CHRM2 (0.47) | CHRM2CHRM1CYP3A4DRD3CYP1A2 | |
| SCHEMBL11210963 | 0.74 | HIF1A (0.52) | LMNACHRM3HIF1AMEN1KMT2A | |
| Drofenine SCHEMBL25124 | 0.74 | CHRM2 (1.00) | CHRM2CHRM1CYP3A4DRD1OPRM1 | |
| SCHEMBL11209018 | 0.73 | HIF1A (0.42) | CHRM2CHRM1CYP2D6TSHRCHRM3 | |
| Drofenine SCHEMBL446912 | 0.73 | CYP3A4 (1.00) | CHRM2CHRM1CYP3A4DRD1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-58201770-A | — | — | None | — | — | JP | disclosed |
| JP-S58201770-A | ALPHA-SUBSTITUTED-1,2-BENZISOXAZOLE-3-ACETIC ACID ESTER, ITS ACID ADDITION SALT AND QUATERNARY AMMONIUM SALT | DAINIPPON PHARMACEUT CO LTD | 1983-11-24 | — | — | JP | disclosed |
| EP-0094833-A2 | Novel 1,2-benzisoxazole derivatives | Dainippon Pharmaceutical Co., Ltd. (JP) | 1983-11-23 | — | — | EP | disclosed |