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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 SCHEMBL11119646 | 1.00 | NPC1 (0.48) | NPC1MAPTRAB9AKDM4EMMP12 | |
| SCHEMBL11125399 | 0.98 | NPC1 (0.50) | NPC1MAPTRAB9AKDM4EMMP12 | |
| Bromide SCHEMBL11123023 | 0.86 | CYP11B1 (0.43) | NPC1MAPTRAB9AKDM4EMMP12 | |
| Bromide SCHEMBL11123040 | 0.86 | CYP11B1 (0.43) | NPC1MAPTRAB9AKDM4EMMP12 | |
| Bromide SCHEMBL11120552 | 0.82 | CYP11B1 (0.47) | NPC1MAPTRAB9AKDM4ECYP11B1 | |
| Bromide SCHEMBL11120556 | 0.82 | CYP11B1 (0.47) | NPC1MAPTRAB9AKDM4ECYP11B1 | |
| Hydrochloric Acid SCHEMBL11120937 | 0.82 | NPC1 (0.44) | NPC1MAPTRAB9AKDM4ECYP11B1 | |
| SCHEMBL11120914 | 0.81 | NPC1 (0.46) | NPC1MAPTRAB9AKDM4ECYP11B1 | |
| SCHEMBL11120277 | 0.80 | CYP11B1 (0.49) | NPC1MAPTRAB9AKDM4ECYP11B1 | |
| Bromide SCHEMBL11121059 | 0.77 | CYP11B1 (0.50) | NPC1MAPTRAB9AKDM4ECYP11B1 |
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-0052016-B1 | CARBOSTYRIL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-09-05 | — | — | EP | disclosed |
| US-4414390-A | CARDIOTONIC AGENTS | OTSUKA, PHARMACEUTICAL CO., LTD. (JP) | 1983-11-08 | — | — | US | disclosed |
| EP-0052016-A1 | Carbostyril compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1982-05-19 | — | — | EP | disclosed |