Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.64 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.64 |
| ▸ | PTPRC | P08575 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7058734 | 0.93 | CYP2A6 (0.70) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL27870289 | 0.91 | CYP2A6 (0.67) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL3181535 | 0.85 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL26259978 | 0.84 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL26259994 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL1310377 | 0.84 | ALDH1A1 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL7744328 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL6829969 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL1309148 | 0.84 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL3240839 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080188670-A1 | 1,4-Dithienylbenzene Derivative | NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) | 2008-08-07 | — | — | US | claimed |
| CN-108191817-A | The activity of the resisting tobacco mosaic virus of the 2- methyl butyne amine acylated derivatives of the dithienyl benzene structure containing 1,3- | 南开大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-104973805-A | conductive polymer-graphene composite electrochromic film and preparation method thereof | UNIV ZHEJIANG TECHNOLOGY | 2015-10-14 | — | — | CN | disclosed |
| WO-2013009032-A2 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 (KR) | 2013-01-17 | — | — | WO | disclosed |
| US-20080188670-A1 | 1,4-Dithienylbenzene Derivative | NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) | 2008-08-07 | — | — | US | disclosed |
| US-20080188670-A1 | 1,4-Dithienylbenzene Derivative | NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) | 2008-08-07 | — | — | US | disclosed |
| US-20080188670-A1 | 1,4-Dithienylbenzene Derivative | NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) | 2008-08-07 | — | — | US | disclosed |
| JP-2007059558-A | ORGANIC SEMICONDUCTOR ELEMENT | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY | 2007-03-08 | — | — | JP | disclosed |
| WO-2006022040-A1 | 1,4-DITHIENYLBENZENE DERIVATIVE | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2006-03-02 | — | — | WO | 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-20080188670-A1 | 1,4-Dithienylbenzene Derivative | SLC22A4, SLC19A2, SLC22A1 | CYP2A6 3908/4885CYP2B6 2375/4885CYP2E1 661/4885 |
“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.