Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 3/20 | 0.41 |
| ▸ | PTGIR | P43119 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28194894 | 0.91 | NPSR1 (0.47) | NPSR1HPGDOPRK1ALDH1A1 | |
| SCHEMBL3152489 | 0.88 | ESR1 (0.47) | AGTR2PTGIRPTGDRHPGDOPRK1 | |
| SCHEMBL27980527 | 0.88 | ESR1 (0.35) | AGTR2PTGIRPTGDRHPGDOPRK1 | |
| SCHEMBL28522927 | 0.84 | ESR1 (0.52) | PTGIRNPSR1PTGDROPRK1ALDH1A1 | |
| SCHEMBL28238968 | 0.82 | ESR1 (0.42) | AGTR2HPGDKCNN4ALDH1A1ESR1 | |
| SCHEMBL2152374 | 0.82 | ESR1 (0.51) | ESR1ESR2 | |
| SCHEMBL28239843 | 0.82 | ALDH1A1 (0.38) | ALDH1A1ESR1ESR2 | |
| SCHEMBL25422045 | 0.81 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL29537290 | 0.81 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL21199554 | 0.81 | ESR1 (0.33) | HPGDESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180037552-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms thereof for the treatment of cancer | PHARMORPHIX, A DIVISION OF SIGMA-ALDRICH COMPANY LTD. (GB) | 2018-02-08 | — | — | US | disclosed |
| US-20180002289-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms thereof for the treatment of cancer | PHARMORPHIX, A DIVISION OF SIGMA-ALDRICH COMPANY LTD. (GB) | 2018-01-04 | — | — | US | disclosed |
| US-20170275251-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms thereof for the treatment of cancer | PHARMORPHIX, A DIVISION OF SIGMA-ALDRICH COMPANY LTD. (GB) | 2017-09-28 | — | — | US | disclosed |
| US-20160031818-A1 | Metabolites of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | EXELIXIS, INC. | 2016-02-04 | — | — | US | disclosed |
| US-20150057310-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms therof for the treatment of cancer | EXELIXIS, INC. | 2015-02-26 | — | — | US | disclosed |
| US-20120035212-A1 | (L)-Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | EXELIXIS, INC. (US) | 2012-02-09 | — | — | 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 (6 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-20180037552-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms thereof for the treatment of cancer | MDH1, MDH2, SLC25A11 | AGTR2 885/4885PTGIR 2927/4885NPSR1 3269/4885 |
| US-20180002289-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms thereof for the treatment of cancer | MDH1, MDH2, SLC25A11 | AGTR2 1066/4885PTGIR 2809/4885NPSR1 3292/4885 |
| US-20120035212-A1 | (L)-Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | MDH1, MDH2, SLC25A11 | AGTR2 764/4885PTGIR 3215/4885NPSR1 3267/4885 |
| US-20150057310-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms therof for the treatment of cancer | MDH2, MDH1, SLC25A11 | AGTR2 1045/4885PTGIR 2404/4885NPSR1 2336/4885 |
| US-20170275251-A1 | Malate salt of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms thereof for the treatment of cancer | MDH1, MDH2, ME1 | AGTR2 724/4885PTGIR 2423/4885NPSR1 3061/4885 |
| US-20160031818-A1 | Metabolites of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | IDH1, NTRK3, FGFR4 | AGTR2 2249/4885PTGIR 2661/4885NPSR1 1644/4885 |
“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.