Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13925605 | 0.92 | CYP2D6 (0.40) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28211811 | 0.85 | HDAC3 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27709304 | 0.85 | HDAC3 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL8612403 | 0.84 | TSHR (0.36) | CA12TSHRCA2SMN1; SMN2 | |
| SCHEMBL27925163 | 0.84 | TSHR (0.36) | CA12TSHRCA2SMN1; SMN2 | |
| SCHEMBL5406348 | 0.84 | L3MBTL1 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| Water SCHEMBL27729877 | 0.83 | HDAC3 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24016806 | 0.78 | KLK5 (0.51) | KLK5CTSKCYP2C9CYP2C19 | |
| SCHEMBL15075041 | 0.78 | CYP2D6 (0.54) | CYP2D6CA12CA14KLK5CTSK | |
| SCHEMBL3496969 | 0.77 | CYP2D6 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1512397-B1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INST MED MOLECULAR DESIGN INC (JP) | 2014-10-08 | — | — | EP | disclosed |
| CN-101506174-B | Caspase inhibitors based on pyridazinone scaffold | LG LIFE SCIENCES LTD | 2012-05-02 | — | — | CN | disclosed |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-05-06 | — | — | US | disclosed |
| US-7626042-B2 | O-substituted hydroxyaryl derivatives | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| CN-101506174-A | Caspase inhibitors based on pyridazinone scaffold | LG LIFE SCIENCES LTD (KR) | 2009-08-12 | — | — | CN | disclosed |
| US-20060094718-A1 | 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2006-05-04 | — | — | US | disclosed |
| EP-1512397-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | Institute of Medicinal Molecular Design, Inc. (JP) | 2005-03-09 | — | — | 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 (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-20060094718-A1 | 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction | IL1A, TNF, NFKBIA | CYP2D6 623/4885HDAC3 75/4885HDAC1 37/4885 |
| US-20100113770-A1 | O-SUBSTITUTED HYDROXYARYL DERIVATIVES | RELA, NFKBIA, NFE2 | CYP2D6 1606/4885HDAC3 13/4885HDAC1 10/4885 |
“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.