Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 3/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6172121 | 0.95 | AR (0.44) | ARCYP2C9CYP3A4CYP2C19GAA | |
| SCHEMBL6178355 | 0.95 | AR (0.44) | ARCYP2C9CYP3A4CYP2C19GAA | |
| Trifluoroacetic Acid SCHEMBL17558421 | 0.86 | IGF1R (0.41) | ARCYP2C9CYP3A4CYP2C19GAA | |
| Trifluoroacetic Acid SCHEMBL17558372 | 0.86 | IGF1R (0.41) | ARCYP2C9CYP3A4CYP2C19GAA | |
| Trifluoroacetic Acid SCHEMBL17558419 | 0.83 | IGF1R (0.55) | ARIGF1RITGAL | |
| SCHEMBL6175141 | 0.83 | IGF1R (0.47) | ARCYP2C9CYP3A4CYP2C19GAA | |
| SCHEMBL6173575 | 0.81 | IGF1R (0.44) | ARCYP2C9CYP3A4CYP2C19IGF1R | |
| SCHEMBL6173595 | 0.81 | IGF1R (0.49) | ARCYP2C9CYP3A4CYP2C19GAA | |
| Trifluoroacetic Acid SCHEMBL17558350 | 0.81 | IGF1R (0.60) | ARIGF1RITGALCYP1A2NAMPT | |
| SCHEMBL6173981 | 0.81 | IGF1R (0.40) | ARCYP2C9CYP3A4CYP2C19GAA |
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 |