Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5394610 | 0.98 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1TP53HPGDALOX15 | |
| Bromide SCHEMBL18606181 | 0.77 | ALDH1A1 (0.48) | SIGMAR1ALDH1A1TP53HPGDALOX15 | |
| SCHEMBL28862100 | 0.77 | SIGMAR1 (0.55) | SIGMAR1ALDH1A1TP53HPGDALOX15 | |
| SCHEMBL12988758 | 0.76 | HDAC8 (0.41) | ALDH1A1TP53HPGDALOX15HSD17B10 | |
| Hydrochloric Acid SCHEMBL1697514 | 0.75 | HDAC8 (0.40) | ALDH1A1TP53HPGDALOX15HSD17B10 | |
| SCHEMBL18622667 | 0.75 | ALDH1A1 (0.46) | SIGMAR1ALDH1A1TP53HPGDALOX15 | |
| SCHEMBL20960631 | 0.73 | ALDH1A1 (0.58) | ALDH1A1LMNAGAARECQL | |
| SCHEMBL1046133 | 0.68 | ALDH1A1 (0.35) | ALDH1A1TP53HPGDALOX15HSD17B10 | |
| Bromide SCHEMBL18606167 | 0.68 | SMARCA2 (0.44) | SIGMAR1ALDH1A1TP53HPGDALOX15 | |
| SCHEMBL18622664 | 0.66 | SMARCA2 (0.46) | SIGMAR1ALDH1A1LMNAKDM4EHDAC8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3347341-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-04-28 | — | — | EP | disclosed |
| CN-108349881-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2020-11-27 | — | — | CN | disclosed |
| EP-3347341-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | Dow Agrosciences LLC (US) | 2018-07-18 | — | — | EP | disclosed |
| US-9758491-B2 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | DOW AGROSCIENCES LLC (US) | 2017-09-12 | — | — | US | disclosed |
| US-20170073316-A1 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | DOW AGROSCIENCES LLC (US) | 2017-03-16 | — | — | US | disclosed |
| WO-2017044314-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-03-16 | — | — | WO | 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-20170073316-A1 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | ACHE, DDT, MLYCD | SIGMAR1 3628/4885ALDH1A1 443/4885TP53 4761/4885 |
“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.