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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL114311 | 0.96 | ALDH1A1 (0.42) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| Bromide SCHEMBL112648 | 0.91 | ALDH1A1 (0.39) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL112649 | 0.89 | NPSR1 (0.41) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL14934932 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL1431361 | 0.78 | ALOX15 (0.41) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL10428696 | 0.78 | NPSR1 (0.47) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL10428697 | 0.78 | NPSR1 (0.47) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL166879 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL10978880 | 0.76 | MAPT (0.38) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL10978876 | 0.76 | MAPT (0.38) | ALDH1A1TRPA1NPSR1GLO1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424860-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126163-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-11-04 | — | — | WO | disclosed |