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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LSS | P48449 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP4 | P49662 | 1/20 | 0.49 |
| ▸ | CASP5 | P51878 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4882691 | 0.98 | LSS (0.51) | KDM4ETSHRLSSCASP1CASP4 | |
| SCHEMBL511084 | 0.93 | CCR2 (0.56) | KDM4ETSHRLSSCASP1CASP4 | |
| Pyridine SCHEMBL28099010 | 0.87 | SIGMAR1 (0.58) | KDM4ETSHRPOLBSIGMAR1ALDH1A1 | |
| SCHEMBL28269086 | 0.83 | LSS (0.66) | KDM4ETSHRLSSCASP1CASP4 | |
| SCHEMBL1134938 | 0.82 | SIGMAR1 (0.72) | POLBSIGMAR1KMT2AALDH1A1 | |
| SCHEMBL4886381 | 0.79 | CHRNB2 (0.66) | KDM4ECASP1CASP4CASP5TRPV6 | |
| SCHEMBL7421573 | 0.79 | SIGMAR1 (0.67) | KDM4ELSSSIGMAR1MEN1KMT2A | |
| SCHEMBL2325343 | 0.77 | LMNA (0.68) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL7422143 | 0.77 | MAPT (0.53) | KDM4EMEN1KMT2A | |
| SCHEMBL7223925 | 0.77 | LMNA (0.61) | POLBSIGMAR1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2207773-B1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMA CO LTD (JP) | 2012-07-11 | — | — | EP | disclosed |