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 | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | UGT2B17 | O75795 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 SCHEMBL27130370 | 0.94 | RAPGEF4 (0.43) | RAPGEF4ALDH1A1KDM4ELMNAGAA | |
| Hydrochloric Acid SCHEMBL27538451 | 0.94 | RAPGEF4 (0.43) | RAPGEF4ALDH1A1KDM4ELMNAGAA | |
| Tetrahydrofuran SCHEMBL27503249 | 0.76 | ALDH1A1 (0.35) | RAPGEF4ALDH1A1MAPTPOLBUGT2B17 | |
| Bromide SCHEMBL27140745 | 0.71 | RAPGEF4 (0.33) | RAPGEF4CA1 | |
| Bromide SCHEMBL28496767 | 0.71 | TSHR (0.39) | RAPGEF4ALDH1A1TSHRTP53 | |
| Hydrochloric Acid SCHEMBL2972496 | 0.65 | RAPGEF4 (0.45) | RAPGEF4ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL1183272 | 0.65 | RAPGEF4 (0.45) | RAPGEF4ALDH1A1KDM4ELMNAGAA | |
| Bromide SCHEMBL20165770 | 0.65 | ALDH1A1 (0.44) | RAPGEF4ALDH1A1TSHRTDP1 | |
| SCHEMBL1551822 | 0.63 | RAPGEF4 (0.59) | RAPGEF4ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL317299 | 0.63 | RAPGEF4 (0.50) | RAPGEF4ALDH1A1KDM4ELMNAGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109384807-B | Preparation method of anacetrapib intermediate | 鲁南制药集团股份有限公司 | 2021-08-03 | — | — | CN | claimed |
| CN-109384807-B | Preparation method of anacetrapib intermediate | 鲁南制药集团股份有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-109384807-B | Preparation method of anacetrapib intermediate | 鲁南制药集团股份有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-109384807-A | A kind of preparation method of Ansai Qu intermediate | 鲁南制药集团股份有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-109384807-A | A kind of preparation method of Ansai Qu intermediate | 鲁南制药集团股份有限公司 | 2019-02-26 | — | — | CN | disclosed |