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 | 10/20 | 0.33 |
| ▸ | CHKA known ✓ | P35790 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 10/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.33 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.33 |
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 SCHEMBL8598361 | 0.78 | MEN1 (0.47) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL1316266 | 0.75 | MEN1 (0.48) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Iodide SCHEMBL5014654 | 0.74 | HTT (0.50) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL930736 | 0.72 | — | — | |
| SCHEMBL931740 | 0.72 | — | — | |
| Bromide SCHEMBL8622785 | 0.70 | PABPC1 (0.41) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL1316129 | 0.69 | PABPC1 (0.43) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL930678 | 0.67 | — | — | |
| SCHEMBL1066665 | 0.67 | TSHR (0.35) | LMNA | |
| SCHEMBL1066825 | 0.66 | — | — |
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-6423772-B1 | POLYSILSESQUIOXANES | INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES | 2002-07-23 | — | — | US | disclosed |