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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.66 |
| ▸ | NPC1 | O15118 | 9/20 | 0.66 |
| ▸ | RAB9A | P51151 | 9/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.66 |
| ▸ | GLA | P06280 | 1/20 | 0.66 |
| ▸ | ALDH1A3 | P47895 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.47 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128798 | 0.99 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| SCHEMBL2128335 | 0.85 | RAB9A (0.71) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| Bromide SCHEMBL8866701 | 0.85 | ALDH1A3 (0.64) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| SCHEMBL2127752 | 0.85 | ALDH1A1 (0.75) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| Bromide SCHEMBL1691775 | 0.84 | ALDH1A1 (0.70) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| Bromide SCHEMBL1691882 | 0.84 | NPC1 (0.70) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| SCHEMBL2127570 | 0.84 | ALDH1A3 (0.65) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| SCHEMBL2127079 | 0.83 | NPC1 (0.74) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| SCHEMBL2128899 | 0.83 | ALDH1A1 (0.72) | ALDH1A1NPC1RAB9AKDM4EGLA | |
| SCHEMBL2126735 | 0.83 | NPC1 (0.72) | ALDH1A1NPC1RAB9AKDM4EGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |