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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 SCHEMBL11584557 | 1.00 | HIF1A (0.44) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL3408959 | 0.96 | HIF1A (0.41) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL8925807 | 0.89 | HIF1A (0.55) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL2447465 | 0.84 | HIF1A (0.55) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL14839973 | 0.84 | HIF1A (0.55) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL9594079 | 0.84 | HIF1A (0.46) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL9594082 | 0.84 | HIF1A (0.46) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL4690992 | 0.81 | HIF1A (0.39) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL4690988 | 0.81 | HIF1A (0.39) | HIF1AALDH1A1CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL2182198 | 0.81 | HIF1A (0.46) | HIF1AALDH1A1CYP1A2CYP2D6TSHR |
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-20140275656-A1 | (Z,Z,E)-1-CHLORO-6,10,12-PENTADECATRIENE AND METHOD FOR PREPARING (Z,Z,E)-7,11,13-HEXADECATRIENAL BY USING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-09-18 | — | — | US | disclosed |
| US-8829255-B1 | (Z,Z,E)-1-chloro-6,10,12-pentadecatriene and method for preparing (Z,Z,E)-7,11,13-hexadecatrienal by using same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-09-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140275656-A1 | (Z,Z,E)-1-CHLORO-6,10,12-PENTADECATRIENE AND METHOD FOR PREPARING (Z,Z,E)-7,11,13-HEXADECATRIENAL BY USING SAME | ZDHHC7, ZDHHC9, ZDHHC2 | HIF1A 3663/4885ALDH1A1 1506/4885CYP1A2 751/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.