Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ1 | P51787 | 7/20 | 0.62 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.59 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.59 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.54 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.54 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.49 |
| ▸ | MMP7 | P09237 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL629838 | 1.00 | KCNQ1 (0.62) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL629837 | 1.00 | KCNQ1 (0.62) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL631047 | 0.92 | ITGB1 (0.53) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL5171082 | 0.92 | ITGB1 (0.53) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL631046 | 0.92 | ITGB1 (0.53) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL630184 | 0.91 | KCNQ1 (0.58) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL630183 | 0.91 | KCNQ1 (0.58) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL630186 | 0.90 | ITGB1 (0.56) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL630187 | 0.90 | ITGB1 (0.56) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 | |
| Trifluoroacetic Acid SCHEMBL5171147 | 0.90 | KCNQ1 (0.57) | KCNQ1HCRTR1HCRTR2ITGB1ITGA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1778637-A2 | FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF | Aventis Pharmaceuticals, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006012256-A2 | FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2006-02-02 | — | — | WO | disclosed |