Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5731128 | 0.78 | ABCG2 (0.50) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL1890902 | 0.77 | NISCH (0.53) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL1567701 | 0.74 | NISCH (0.50) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL266615 | 0.73 | NISCH (0.48) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL447295 | 0.73 | NISCH (0.53) | NISCHADRA2AADRA1AHTTHTR1A | |
| SCHEMBL8347684 | 0.73 | NISCH (0.48) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL1079302 | 0.73 | NISCH (0.48) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL31276822 | 0.73 | NISCH (0.48) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL2210580 | 0.73 | NISCH (0.48) | NISCHABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL963837 | 0.73 | NISCH (0.53) | NISCHABCG2ITGB2ICAM1ITGAL |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1147255-A | Substituted- [1, 4] -dioxino- [2, 3-f ] -benzimidazole derivatives and their use in pest control | BAYER AG (DE) | 1997-04-09 | — | — | CN | claimed |
| US-10974235-B2 | Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation | TRUSTEES OF PRINCETON UNIVERSITY (US) | 2021-04-13 | — | — | US | disclosed |
| US-10543481-B2 | Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation | TRUSTEES OF PRINCETON UNIVESITY (US) | 2020-01-28 | — | — | US | disclosed |
| CN-110403939-A | For treating the tricyclic nitrogenous compound of N. gonorrhoeae infections | GLAXOSMITHKLINE INTELECTUAL PROPERTY DEV LTD | 2019-11-05 | — | — | CN | disclosed |
| CN-106659717-B | Tricyclic nitrogen-containing compounds for the treatment of neisseria gonorrhoeae infections | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-09-06 | — | — | CN | disclosed |
| US-20180037526-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2018-02-08 | — | — | US | disclosed |
| US-20180037526-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2018-02-08 | — | — | US | disclosed |
| CN-106659717-A | Tricyclic nitrogen-containing compounds for the treatment of neisseria gonorrhoeae infections | 葛兰素史密斯克莱知识产权发展有限公司 | 2017-05-10 | — | — | CN | disclosed |
| WO-2016130549-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-08-18 | — | — | WO | disclosed |
| US-20160158388-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-06-09 | — | — | US | disclosed |
| US-20160158388-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2016-06-09 | — | — | US | disclosed |
| CN-1049894-C | Substd. (1,4)-dioxino[2,3-F] benzoimidazole derivs. and their use in pest control | BAYER AG (DE) | 2000-03-01 | — | — | CN | disclosed |
| CN-1147255-A | Substituted- [1, 4] -dioxino- [2, 3-f ] -benzimidazole derivatives and their use in pest control | BAYER AG (DE) | 1997-04-09 | — | — | CN | 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 (4 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-20160158388-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | AFF2, CLTC, AFF4 | NISCH 734/4885ABCG2 1944/4885ITGB2 626/4885 |
| US-10543481-B2 | Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation | AFF2, CLTC, AFF4 | NISCH 734/4885ABCG2 1944/4885ITGB2 626/4885 |
| US-20180037526-A1 | TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION | AFF2, CLTC, AFF4 | NISCH 734/4885ABCG2 1944/4885ITGB2 626/4885 |
| US-10974235-B2 | Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation | AFF2, CLTC, AFF4 | NISCH 734/4885ABCG2 1944/4885ITGB2 626/4885 |
“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.