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 | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 4/20 | 0.53 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10661877 | 0.99 | GRIA1 (0.54) | GRIA1CACNG8PDE3BPDE3ACD274 | |
| Hydrochloric Acid SCHEMBL10662967 | 0.97 | GRIA1 (0.53) | GRIA1CACNG8PDE3BPDE3ACD274 | |
| SCHEMBL10665330 | 0.92 | GRIA1 (0.48) | GRIA1CACNG8PDE3BPDE3ACD274 | |
| SCHEMBL10664070 | 0.88 | MAPT (0.60) | GRIA1CACNG8PDE3BPDE3ACD274 | |
| SCHEMBL3676863 | 0.84 | PGR (0.51) | GRIA1CACNG8PDE3BPDE3AMAPT | |
| SCHEMBL3610826 | 0.78 | GRIA1 (0.46) | GRIA1CACNG8PDE3BPDE3AALDH1A1 | |
| SCHEMBL1459822 | 0.76 | GRIA1 (0.48) | GRIA1CACNG8PDE3BPDE3AMAPT | |
| SCHEMBL10662326 | 0.74 | MAPT (0.62) | GRIA1CACNG8PDE3BPDE3AMAPT | |
| SCHEMBL10659225 | 0.74 | MAPT (0.78) | GRIA1CACNG8PDE3BPDE3AMAPT | |
| SCHEMBL20924253 | 0.73 | PDE3B (0.57) | GRIA1CACNG8PDE3BPDE3AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4818755-A | Bicyclic heteroaryl thiazole compounds, cardiotonic compositions including the same, and their uses | RORER PHARMACEUTICAL CORPORATON (US) | 1989-04-04 | — | — | US | disclosed |
| EP-0207140-A4 | BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. | RORER INTERNAT OVERSEAS INC (US) | 1987-06-15 | — | — | EP | disclosed |
| EP-0207140-A1 | BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) | 1987-01-07 | — | — | EP | disclosed |
| WO-1986003749-A1 | BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1986-07-03 | — | — | WO | disclosed |