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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GPR6 | P46095 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7777483 | 0.94 | CYP2D6 (0.65) | CYP2D6HTTPOLBALOX5SMN1; SMN2 | |
| SCHEMBL1721295 | 0.93 | CYP2D6 (0.67) | CYP2D6HTTPOLBALOX5SMN1; SMN2 | |
| SCHEMBL27606796 | 0.77 | HTT (0.47) | CYP2D6HTTSMN1; SMN2KMT2A | |
| SCHEMBL21882079 | 0.77 | SMN1; SMN2 (0.67) | CYP2D6HTTSMN1; SMN2GPR6MEN1 | |
| SCHEMBL717372 | 0.77 | HTT (0.69) | CYP2D6HTTPOLBSMN1; SMN2CYP2C9 | |
| Hydrochloric Acid SCHEMBL6578952 | 0.75 | GAA (0.47) | CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL654953 | 0.74 | CYP2D6 (0.67) | CYP2D6HTTPOLBALOX5SMN1; SMN2 | |
| SCHEMBL28789371 | 0.74 | PLK1 (0.51) | CYP2D6HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7975173 | 0.73 | CYP2D6 (0.65) | CYP2D6HTTPOLBALOX5SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL21819605 | 0.72 | SMN1; SMN2 (0.56) | CYP2D6HTTPOLBSMN1; SMN2GPR6 |
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-6291464-B1 | POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0968201-A2 | NEW AMINOPIPERAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998035951-A2 | NEW AMINOPIPERAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-08-20 | — | — | WO | disclosed |