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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 6/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 6/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 6/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 6/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8090392 | 0.76 | GRIN1 (0.58) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL8619216 | 0.73 | GRIN1 (0.70) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL8090253 | 0.72 | — | — | |
| SCHEMBL8615504 | 0.72 | GRIN1 (0.68) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL17594492 | 0.71 | HIF1A (0.47) | KDM4EHSD17B10 | |
| SCHEMBL8620550 | 0.70 | GRIN1 (0.74) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL8086902 | 0.68 | GRIN1 (0.55) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| Phosphonic Acid SCHEMBL27488531 | 0.67 | GRIN1 (0.53) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| Phosphonic Acid SCHEMBL27504235 | 0.66 | GRIN1 (0.60) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| Bromide SCHEMBL8087243 | 0.66 | — | — |
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-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | claimed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | claimed |
| US-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |