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 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18622664 | 0.98 | SMARCA2 (0.46) | SMARCA2SIGMAR1POLBNR1I2ADORA3 | |
| Bromide SCHEMBL18606181 | 0.84 | ALDH1A1 (0.48) | SIGMAR1POLBLMNAALDH1A1KDM4E | |
| SCHEMBL18622667 | 0.82 | ALDH1A1 (0.46) | SIGMAR1POLBLMNAALDH1A1KDM4E | |
| SCHEMBL18622665 | 0.70 | SIGMAR1 (0.42) | SIGMAR1LMNAALDH1A1HTTHDAC8 | |
| SCHEMBL11824478 | 0.69 | SRD5A1 (0.49) | AKR1C3MAPK14TP53HPGDHSD17B10 | |
| SCHEMBL10396479 | 0.68 | AKR1C3 (0.40) | SMARCA2POLBNR1I2ADORA3HTR2C | |
| SCHEMBL11504469 | 0.66 | AKR1C3 (0.50) | POLBAKR1C3MAPK14CYP3A4LMNA | |
| SCHEMBL11469883 | 0.66 | SMARCA2 (0.37) | SMARCA2POLBNR1I2ADORA3HTR2C | |
| SCHEMBL5394610 | 0.66 | SIGMAR1 (0.44) | SIGMAR1POLBLMNATSHRALDH1A1 | |
| SCHEMBL28189346 | 0.66 | ALDH1A1 (0.61) | POLBAKR1C3LMNAALDH1A1KDM4E |
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 |
| WO-2017044314-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-03-16 | — | — | WO | disclosed |
| US-20170073316-A1 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | DOW AGROSCIENCES LLC (US) | 2017-03-16 | — | — | 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-20170073316-A1 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | ACHE, DDT, MLYCD | SIGMAR1 3628/4885ADRA1A 2348/4885SLC6A3 4504/4885 |
“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.