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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 8/20 | 0.34 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1269359 | 0.99 | TLR4 (0.35) | TLR4DPP4CA1CA2CA9 | |
| SCHEMBL2905278 | 0.99 | TLR4 (0.35) | TLR4DPP4CA1CA2CA9 | |
| SCHEMBL29567882 | 0.99 | TLR4 (0.35) | TLR4DPP4CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL2912744 | 0.98 | TLR4 (0.34) | TLR4DPP4CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL2788412 | 0.98 | TLR4 (0.34) | TLR4DPP4CA1CA2CA9 | |
| SCHEMBL2905426 | 0.91 | CA1 (0.33) | TLR4CA1CA2CA9CA14 | |
| SCHEMBL2778461 | 0.91 | KMT2A (0.36) | TLR4DPP4NPSR1 | |
| SCHEMBL1268230 | 0.89 | AKT1 (0.31) | TLR4ALDH1A1 | |
| SCHEMBL29487577 | 0.89 | AKT1 (0.31) | TLR4ALDH1A1 | |
| SCHEMBL2904367 | 0.89 | AKT1 (0.31) | TLR4ALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1601673-B1 | FUSED HETEROCYCLES AND USES THEREOF | ASTRAZENECA AB (SE) | 2009-06-10 | — | — | EP | claimed |
| EP-1481679-B1 | ANTIDEPRESSANT | TAKEDA PHARMACEUTICAL (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7750037-B2 | Antidepressant | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-06 | — | — | US | disclosed |
| EP-1323716-B1 | PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS | TAKEDA PHARMACEUTICAL (JP) | 2009-01-14 | — | — | EP | disclosed |
| US-20090012081-A1 | Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells | TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) | 2009-01-08 | — | — | US | disclosed |
| US-7456162-B2 | Benzofuran derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-25 | — | — | US | disclosed |
| US-20060241168-A1 | Antidepressant | OHKAWA SHIGENORI | 2006-10-26 | — | — | US | disclosed |
| US-7101867-B2 | Benzofuran derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20050187238-A1 | Benzofuran derivatives, their production and use | OHKAWA SHIGENORI (JP) | 2005-08-25 | — | — | US | disclosed |
| US-20050148650-A1 | Antidepressant | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1481679-A1 | ANTIDEPRESSANT | Takeda Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |
| EP-1136477-B1 | BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-03-10 | — | — | EP | disclosed |
| EP-1323716-A1 | PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS | Takeda Chemical Industries, Ltd. (JP) | 2003-07-02 | — | — | EP | disclosed |
| US-20020160996-A1 | Benzofuran derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2002-10-31 | — | — | US | disclosed |
| EP-1136477-A1 | BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-09-26 | — | — | EP | 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 (5 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-20050148650-A1 | Antidepressant | AKT1S1, AKT1, AKT2 | TLR4 396/4885DPP4 4478/4885CA1 1920/4885 |
| US-20060241168-A1 | Antidepressant | AKT1S1, AKT1, AKT2 | TLR4 396/4885DPP4 4478/4885CA1 1920/4885 |
| US-20090012081-A1 | Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells | NES, MKI67, CCNO | TLR4 3540/4885DPP4 4765/4885CA1 882/4885 |
| US-20050187238-A1 | Benzofuran derivatives, their production and use | WDR1, WDR82, CBR1 | TLR4 1282/4885DPP4 3369/4885CA1 3740/4885 |
| US-20020160996-A1 | Benzofuran derivatives, their production and use | PARK7, WDR1, WHR1 | TLR4 1363/4885DPP4 3034/4885CA1 3702/4885 |
“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.