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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5724558 | 0.99 | GRIN2B (0.44) | GRIN2BNPC1ALDH1A1GAARAB9A | |
| SCHEMBL5726307 | 0.99 | GRIN2B (0.44) | GRIN2BNPC1ALDH1A1GAARAB9A | |
| Bromide SCHEMBL5726756 | 0.85 | LMNA (0.44) | GRIN2BNPC1ALDH1A1GAARAB9A | |
| SCHEMBL5725148 | 0.80 | SOS1 (0.40) | NPC1ALDH1A1GAARAB9ASMN1; SMN2 | |
| SCHEMBL5724732 | 0.79 | DHODH (0.34) | NPC1ALDH1A1GAARAB9ASMN1; SMN2 | |
| Bromide SCHEMBL5725876 | 0.78 | LMNA (0.36) | NPC1ALDH1A1GAARAB9ASMN1; SMN2 | |
| SCHEMBL5726290 | 0.75 | SCN5A (0.38) | ALDH1A1EPHX2 | |
| SCHEMBL5724840 | 0.73 | CYP1A2 (0.32) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL5725794 | 0.72 | SLC6A2 (0.44) | NPC1ALDH1A1RAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL7980139 | 0.69 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2 |
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-0812318-B1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2006-02-08 | — | — | EP | claimed |