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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | BAX | Q07812 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27958971 | 0.95 | LTA4H (0.55) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL22559 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL1173869 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL1173711 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL4025817 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL30211827 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL380685 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| SCHEMBL30018242 | 0.80 | LTA4H (0.75) | LTA4HTSHRMAOBAKR1C3MEN1 | |
| Bromide SCHEMBL27412812 | 0.78 | LTA4H (0.63) | LTA4HTSHRMAOBMEN1KMT2A | |
| SCHEMBL9216135 | 0.78 | LTA4H (0.71) | LTA4HTSHRMAOBAKR1C3MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103755554-B | Novel method for asymmetric catalytic synthesis of (S)-fenoprofen | UNIV CHINA AGRICULTURAL | 2015-02-18 | — | — | CN | claimed |
| CN-103755554-A | Novel method for asymmetric catalytic synthesis of (S)-fenoprofen | UNIV CHINA AGRICULTURAL | 2014-04-30 | — | — | CN | claimed |
| CN-103755554-B | Novel method for asymmetric catalytic synthesis of (S)-fenoprofen | UNIV CHINA AGRICULTURAL | 2015-02-18 | — | — | CN | disclosed |
| CN-103755554-A | Novel method for asymmetric catalytic synthesis of (S)-fenoprofen | UNIV CHINA AGRICULTURAL | 2014-04-30 | — | — | CN | disclosed |