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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303554 | 0.99 | PDE3B (0.38) | PDE3BPDE3ACYP11B2CYP11B1GRM4 | |
| SCHEMBL8306110 | 0.94 | PDE3B (0.38) | PDE3BPDE3ACYP11B2CYP11B1GRM4 | |
| SCHEMBL8307863 | 0.79 | PDE3B (0.44) | PDE3BPDE3ACYP11B2CYP11B1GRM4 | |
| SCHEMBL8303858 | 0.79 | CYP11B2 (0.47) | PDE3BPDE3ACYP11B2CYP11B1GRM4 | |
| SCHEMBL8304016 | 0.78 | PDE3B (0.36) | PDE3BPDE3AHTR2A | |
| SCHEMBL8307016 | 0.78 | CYP11B1 (0.38) | CYP11B2CYP11B1 | |
| SCHEMBL8301723 | 0.77 | PDE3B (0.35) | PDE3BPDE3ACYP11B2CYP11B1GRM4 | |
| SCHEMBL8301776 | 0.77 | PDE3B (0.31) | PDE3BPDE3ACYP11B2CYP11B1 | |
| SCHEMBL8301735 | 0.76 | MMP12 (0.38) | PDE3BPDE3ACYP11B2CYP11B1 | |
| SCHEMBL8306967 | 0.76 | PDE3B (0.34) | PDE3BPDE3ACYP11B2CYP11B1HTR1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0548254-B1 | 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS | ALLERGAN INC (US) | 1999-06-02 | — | — | EP | disclosed |
| EP-0548254-A1 | 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS | ALLERGAN, INC. (US) | 1993-06-30 | — | — | EP | disclosed |
| WO-1992004345-A1 | 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS | ALLERGAN, INC. (US) | 1992-03-19 | — | — | WO | disclosed |
| US-5091528-A | Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors | ALLERGAN, INC. (US) | 1992-02-25 | — | — | US | disclosed |