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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | APAF1 | O14727 | 1/20 | 0.63 |
| ▸ | RGS12 | O14924 | 1/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | ESR1 | P03372 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.54 |
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 SCHEMBL6906938 | 1.00 | MAPK1 (0.63) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Bromide SCHEMBL970700 | 1.00 | MAPK1 (0.63) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Iodide SCHEMBL969987 | 0.97 | ALDH1A1 (0.61) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Hydrochloric Acid SCHEMBL971802 | 0.97 | ALDH1A1 (0.61) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Hydrochloric Acid SCHEMBL973745 | 0.97 | ALDH1A1 (0.61) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Iodide SCHEMBL970220 | 0.97 | ALDH1A1 (0.61) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Bromide SCHEMBL6906934 | 0.85 | HSP90AA1 (0.60) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Bromide SCHEMBL970698 | 0.85 | HSP90AA1 (0.60) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Bromide SCHEMBL969011 | 0.85 | HSP90AA1 (0.60) | MAPK1MEN1APAF1RGS12HSP90AA1 | |
| Bromide SCHEMBL7623772 | 0.85 | LMNA (0.63) | MAPK1MEN1APAF1RGS12HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8198359-B2 | Multi-functional nanocomposite additive compositions and methods for making and using same | Zhou, Ninglin (CN) | 2012-06-12 | — | — | US | disclosed |
| US-20110009549-A1 | MULTI-FUNCTIONAL NANOCOMPOSITE ADDITIVE COMPOSITIONS AND METHODS FOR MAKING AND USING SAME | ZHOU NINGLIN | 2011-01-13 | — | — | US | disclosed |