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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 2/20 | 0.56 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.57 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.56 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.56 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.56 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.56 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566591 | 0.99 | GRIN1 (0.58) | GRIN1 | |
| Bromide SCHEMBL8086932 | 0.92 | GRIN1 (0.55) | GRIN1 | |
| SCHEMBL8564517 | 0.91 | GRIN1 (0.56) | GRIN1 | |
| SCHEMBL8090418 | 0.87 | — | — | |
| SCHEMBL8090407 | 0.87 | — | — | |
| SCHEMBL8561769 | 0.84 | GRIN1 (0.65) | GRIN1 | |
| Hydrochloric Acid SCHEMBL8086947 | 0.84 | GRIN1 (0.62) | GRIN1 | |
| Bromide SCHEMBL8092086 | 0.84 | GRIN1 (0.59) | GRIN1 | |
| Hydrochloric Acid SCHEMBL8090429 | 0.83 | GRIN1 (0.64) | GRIN1 | |
| Bromide SCHEMBL8090266 | 0.83 | GRIN1 (0.54) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |
| EP-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |