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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28083527 | 0.93 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| SCHEMBL453160 | 0.93 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| SCHEMBL9490577 | 0.93 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| SCHEMBL30959 | 0.93 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| Methane SCHEMBL23501806 | 0.89 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| Bromide SCHEMBL3328197 | 0.89 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL2138441 | 0.89 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| SCHEMBL3628751 | 0.89 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| SCHEMBL2389596 | 0.89 | ALDH1A1 (0.72) | ALDH1A1L3MBTL1TDP1MAPTKDM4E | |
| SCHEMBL17087772 | 0.89 | ALDH1A1 (0.72) | ALDH1A1L3MBTL1TDP1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-107739428-A | Side chain is poly- containing hole transporting unit（Fluorenes co S, S dioxydibenze bithiophenes）Derivative and its preparation method and application | 华南理工大学 | 2018-02-27 | — | — | CN | disclosed |