Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL17558363 | 0.88 | IGF1R (0.50) | IGF1RCYP3A4NAMPTCA12CA1 | |
| Trifluoroacetic Acid SCHEMBL17558347 | 0.87 | IGF1R (0.41) | IGF1RCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL17558384 | 0.79 | IGF1R (0.51) | IGF1RNAMPTALDH1A1PTGDR2 | |
| SCHEMBL6174602 | 0.79 | CYP3A4 (0.37) | IGF1RCYP3A4CYP2C9CYP2C19NAMPT | |
| SCHEMBL6172549 | 0.78 | IGF1R (0.37) | IGF1RCYP3A4CYP2C9CYP2C19NAMPT | |
| SCHEMBL6172757 | 0.78 | IGF1R (0.57) | IGF1RNAMPTALDH1A1PTGDR2SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL3723547 | 0.78 | IGF1R (0.46) | IGF1RALDH1A1MAPK1PTGDR2GAA | |
| SCHEMBL17558342 | 0.77 | CYP3A4 (0.41) | IGF1RCYP3A4CYP2C9CYP2C19NAMPT | |
| Trifluoroacetic Acid SCHEMBL17558354 | 0.76 | AR (0.40) | IGF1RCYP3A4CYP2C9CYP2C19NAMPT | |
| Trifluoroacetic Acid SCHEMBL17558458 | 0.75 | IGF1R (0.52) | IGF1RNAMPTALDH1A1CA1CA2 |
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-3188729-A1 | CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS | Genzyme Corporation (US) | 2017-07-12 | — | — | EP | disclosed |
| WO-2016036796-A1 | CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS | GENZYME CORPORATION (US) | 2016-03-10 | — | — | WO | disclosed |