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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 5/20 | 0.43 |
| ▸ | CNR2 | P34972 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11808559 | 0.99 | CNR1 (0.43) | CNR1CNR2MEN1GAAKMT2A | |
| Nabazenil SCHEMBL635999 | 0.93 | CNR1 (0.44) | CNR1CNR2MEN1GAAKMT2A | |
| SCHEMBL11816145 | 0.93 | CNR1 (0.44) | CNR1CNR2MEN1GAAKMT2A | |
| Nabazenil SCHEMBL636000 | 0.93 | CNR1 (0.44) | CNR1CNR2MEN1GAAKMT2A | |
| Nabazenil SCHEMBL29457693 | 0.93 | CNR1 (0.44) | CNR1CNR2MEN1GAAKMT2A | |
| Nabazenil SCHEMBL11696365 | 0.92 | CNR1 (0.43) | CNR1CNR2MEN1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL11739184 | 0.92 | CNR1 (0.43) | CNR1CNR2MEN1GAAKMT2A | |
| SCHEMBL11815877 | 0.92 | CNR1 (0.43) | CNR1CNR2MEN1GAAKMT2A | |
| SCHEMBL11816765 | 0.89 | CNR2 (0.34) | CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL11817376 | 0.88 | CNR2 (0.34) | CNR1CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025630-A | Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication | ABBOTT LABORATORIES (US) | 1977-05-24 | — | — | US | disclosed |
| US-3941782-A | Heterocyclic esters of benzopyrans | SHARPS ASSOCIATES (US) | 1976-03-02 | — | — | US | disclosed |