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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 1.00 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL725564 | 0.98 | SIGMAR1 (1.00) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL8295478 | 0.78 | SIGMAR1 (0.66) | SIGMAR1CA1CA2CA4CA7 | |
| Bromide SCHEMBL18606185 | 0.76 | SIGMAR1 (0.60) | SIGMAR1NPC1MAPTGFER | |
| SCHEMBL9203668 | 0.75 | SIGMAR1 (0.62) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL5121302 | 0.75 | CA1 (0.66) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL5584213 | 0.75 | SIGMAR1 (0.62) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL28945111 | 0.75 | SIGMAR1 (0.61) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL28945130 | 0.75 | SIGMAR1 (0.61) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL6424629 | 0.75 | SIGMAR1 (0.61) | SIGMAR1 | |
| SCHEMBL9803211 | 0.73 | SIGMAR1 (0.60) | SIGMAR1CA1CA2CA4CA7 |
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 11 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 |
| EP-1919921-B1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |
| US-7494984-B2 | Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-24 | — | — | US | disclosed |
| EP-1919921-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007027754-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-03-08 | — | — | WO | disclosed |
| US-20070049606-A1 | Bicyclic heterocycles as HIV-integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-03-01 | — | — | 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 (2 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 3628/4885ADRA2A 2351/4885ADRA2B 2336/4885 |
| US-20070049606-A1 | Bicyclic heterocycles as HIV-integrase inhibitors | CCNI, APOBEC3C, CDKN1A | SIGMAR1 3960/4885ADRA2A 4077/4885ADRA2B 3734/4885 |
“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.