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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5151745 | 0.98 | NPC1 (0.32) | NPC1RAB9ANOTUM | |
| Bromide SCHEMBL27914400 | 0.84 | SMN1; SMN2 (0.35) | NPC1RAB9ANOTUM | |
| SCHEMBL2854030 | 0.84 | NOTUM (0.32) | NOTUM | |
| Water SCHEMBL29953274 | 0.80 | NOTUM (0.39) | NPC1RAB9ANOTUM | |
| SCHEMBL3861012 | 0.80 | — | — | |
| SCHEMBL19603001 | 0.78 | — | — | |
| SCHEMBL8080946 | 0.78 | KMT2A (0.33) | — | |
| Zinc Ion SCHEMBL14482007 | 0.78 | — | — | |
| Bromide SCHEMBL6189978 | 0.78 | GSK3B (0.37) | — | |
| SCHEMBL8490277 | 0.78 | S1PR2 (0.38) | NPC1RAB9ANOTUM |
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-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |