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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRAP1 | Q12931 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.32 |
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 SCHEMBL23038728 | 0.97 | TRAP1 (0.34) | TRAP1CHRNA7PTGESALOX5PPARG | |
| Iodide SCHEMBL23038688 | 0.97 | CHRNA7 (0.36) | TRAP1CHRNA7PTGESALOX5PPARG | |
| Bromide SCHEMBL23038709 | 0.93 | TRAP1 (0.35) | TRAP1CHRNA7MEN1KMT2A | |
| Iodide SCHEMBL23038733 | 0.90 | TRAP1 (0.35) | TRAP1CHRNA7MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL23038702 | 0.90 | TRAP1 (0.35) | TRAP1CHRNA7MEN1KMT2A | |
| Bromide SCHEMBL26650383 | 0.90 | ALDH1A1 (0.35) | — | |
| Bromide SCHEMBL23038691 | 0.87 | CHRNA7 (0.46) | TRAP1CHRNA7 | |
| Bromide SCHEMBL23038731 | 0.86 | TRAP1 (0.34) | TRAP1CHRNA7MEN1KMT2A | |
| Iodide SCHEMBL23038723 | 0.84 | CHRNA7 (0.49) | TRAP1CHRNA7 | |
| Hydrochloric Acid SCHEMBL23039742 | 0.84 | CHRNA7 (0.46) | TRAP1CHRNA7 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3929173-B1 | PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL | SHINETSU CHEMICAL CO (JP) | 2023-07-19 | — | — | EP | disclosed |
| US-11319271-B2 | Process for preparing (9Z,11E)-9,11-hexadecadienal | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2022-05-03 | — | — | US | disclosed |
| EP-3789376-B1 | DIALKOXYALKADIENYNE COMPOUND AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING A DIENYNAL COMPOUND | SHINETSU CHEMICAL CO (JP) | 2022-03-23 | — | — | EP | disclosed |
| EP-3789375-B1 | PROCESS FOR PREPARING 4-PENTEN-2-YNAL | SHINETSU CHEMICAL CO (JP) | 2022-03-02 | — | — | EP | disclosed |
| US-20210403403-A1 | PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-12-30 | — | — | US | disclosed |
| EP-3929173-A1 | PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-12-29 | — | — | EP | disclosed |
| EP-3789376-A1 | DIALKOXYALKADIENYNE COMPOUND AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING A DIENYNAL COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-03-10 | — | — | EP | disclosed |
| EP-3789375-A1 | PROCESS FOR PREPARING 4-PENTEN-2-YNAL | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-03-10 | — | — | EP | disclosed |
| US-20210061745-A1 | PROCESS FOR PREPARING 4-PENTEN-2-YNAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-03-04 | — | — | 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 (3 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-20210403403-A1 | PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL | CYP2J2, DHRS9, DHCR7 | TRAP1 3798/4885CHRNA7 4274/4885PTGES 362/4885 |
| US-20210061745-A1 | PROCESS FOR PREPARING 4-PENTEN-2-YNAL | ORC3, OR10J3, OXER1 | TRAP1 4740/4885CHRNA7 1007/4885PTGES 2927/4885 |
| US-11319271-B2 | Process for preparing (9Z,11E)-9,11-hexadecadienal | CYP2J2, DHRS9, DHCR7 | TRAP1 3810/4885CHRNA7 4297/4885PTGES 358/4885 |
“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.