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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 14/20 | 0.52 |
| ▸ | MEN1 | O00255 | 9/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | ATM | Q13315 | 5/20 | 0.51 |
| ▸ | CASP1 | P29466 | 2/20 | 0.51 |
| ▸ | CASP7 | P55210 | 2/20 | 0.51 |
| ▸ | HBB | P68871 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4301861 | 0.99 | CYP19A1 (0.64) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Sulfuric Acid SCHEMBL4309558 | 0.92 | CYP19A1 (0.56) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL4300809 | 0.89 | CYP19A1 (0.46) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4302367 | 0.88 | MEN1 (0.54) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4306467 | 0.88 | CYP19A1 (0.47) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4309419 | 0.87 | CYP19A1 (0.47) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL4313103 | 0.86 | CYP19A1 (0.67) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4300887 | 0.85 | ACHE (0.46) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4302206 | 0.84 | CYP19A1 (0.68) | CYP19A1MAPTMEN1KMT2AKDM4E | |
| Bromide SCHEMBL4301866 | 0.84 | CYP19A1 (0.71) | 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 2 patents. 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 | claimed |
| WO-2009124800-A1 | CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN | HENKEL AG & CO. KGAA (DE) | 2009-10-15 | — | — | WO | disclosed |