Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.43 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5756315 | 1.00 | CYP1A2 (0.47) | CYP1A2CACNA1BPTGS2GRIK1GRIK2 | |
| SCHEMBL28476050 | 0.86 | CYP1A2 (0.50) | CYP1A2CACNA1BPTGS2GRIK1GRIK2 | |
| SCHEMBL28476052 | 0.84 | CYP1A2 (0.48) | CYP1A2CACNA1BPTGS2GRIK1GRIK2 | |
| SCHEMBL7368086 | 0.84 | CA12 (0.51) | CYP1A2PTGS2MAOBMAOANPC1 | |
| SCHEMBL9997865 | 0.84 | MAPT (0.44) | CACNA1BGRIK1GRIK2MAOBMAOA | |
| SCHEMBL7368088 | 0.84 | CA12 (0.51) | CYP1A2PTGS2MAOBMAOANPC1 | |
| SCHEMBL9997863 | 0.84 | MAPT (0.44) | CACNA1BGRIK1GRIK2MAOBMAOA | |
| SCHEMBL7368082 | 0.84 | CA12 (0.51) | CYP1A2PTGS2MAOBMAOANPC1 | |
| SCHEMBL5856571 | 0.84 | PTGS2 (0.48) | CYP1A2CACNA1BPTGS2GRIK1GRIK2 | |
| SCHEMBL5856574 | 0.84 | PTGS2 (0.48) | CYP1A2CACNA1BPTGS2GRIK1GRIK2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8558012-B2 | 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2011-12-29 | — | — | US | disclosed |
| EP-1387841-B1 | NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE THEREOF AS FUNGICIDES | AVENTIS PHARMA SA (FR) | 2006-03-08 | — | — | EP | disclosed |
| US-6946460-B2 | Azole or triazole derivatives, method for preparing same and use thereof as fungicides | AVENTIS PHARMA S.A. (FR) | 2005-09-20 | — | — | US | disclosed |
| US-20050043540-A1 | Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides | AVENTIS PHARMA S. A, (FR) | 2005-02-24 | — | — | US | disclosed |
| EP-1387841-A1 | NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE THEREOF AS FUNGICIDES | Aventis Pharma S.A. (FR) | 2004-02-11 | — | — | EP | disclosed |
| WO-2002090354-A1 | NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS FUNGICIDES | AVENTIS PHARMA S.A. (FR) | 2002-11-14 | — | — | 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 (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-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | CBR1, CYP1B1, CYP2F1 | CYP1A2 19/4885CACNA1B 1372/4885PTGS2 891/4885 |
| US-20050043540-A1 | Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides | CYP1A2, CYP1B1, CYP21A2 | CYP1A2 1/4885CACNA1B 1450/4885PTGS2 4216/4885 |
“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.