Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 3/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL1744601 | 0.89 | PDE3B (0.43) | PDE3BPDE3ACYP11B2CYP11B1HTR1A | |
| SCHEMBL3347754 | 0.77 | PDE3B (0.44) | PDE3BPDE3ACYP11B2CYP11B1HTR1A | |
| SCHEMBL16362074 | 0.74 | PDE3B (0.44) | PDE3BPDE3ACYP11B2CYP11B1HTR1A | |
| SCHEMBL29209156 | 0.73 | PDE3B (0.43) | PDE3BPDE3ACYP11B2CYP11B1HTR1A | |
| SCHEMBL8600208 | 0.73 | CYP11B2 (0.42) | PDE3BPDE3ACYP11B2CYP11B1HTR1A | |
| SCHEMBL1744896 | 0.72 | CYP11B2 (0.41) | PDE3BPDE3ACYP11B2CYP11B1HTR1A | |
| SCHEMBL16362406 | 0.72 | PDE3B (0.42) | PDE3BPDE3ACYP11B2CYP11B1ALDH1A1 | |
| SCHEMBL3345870 | 0.71 | KMO (0.42) | ALDH1A1 | |
| SCHEMBL23336701 | 0.70 | KRAS (0.34) | PDE3BPDE3ACYP11B2CYP11B1ALDH1A1 | |
| SCHEMBL30659587 | 0.70 | HTR1A (0.45) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2385939-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-11-16 | — | — | EP | disclosed |
| US-8041551-B1 | Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components | THE MATHWORKS, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| WO-2010072597-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |