Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 13/20 | 0.59 |
| ▸ | MEN1 | O00255 | 9/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | HTT | P42858 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | USP2 | O75604 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 5/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | CASP1 | P29466 | 2/20 | 0.55 |
| ▸ | CASP7 | P55210 | 2/20 | 0.55 |
| ▸ | HBB | P68871 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4301892 | 0.99 | CYP19A1 (0.62) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Sulfuric Acid SCHEMBL4302287 | 0.92 | CYP19A1 (0.55) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4299903 | 0.89 | ACHE (0.49) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL4309541 | 0.89 | ALDH1A1 (0.50) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4309616 | 0.88 | MEN1 (0.53) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4300702 | 0.88 | ACHE (0.50) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4304320 | 0.88 | NPC1 (0.46) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL194256 | 0.85 | CYP19A1 (0.79) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4309500 | 0.85 | SLC16A3 (0.59) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL4313103 | 0.85 | CYP19A1 (0.67) | CYP19A1MAPTMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124800-A1 | CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN | HENKEL AG & CO. KGAA (DE) | 2009-10-15 | — | — | WO | disclosed |