Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044601 | 1.00 | ALDH1A1 (0.50) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL4580600 | 0.81 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL21378 | 0.80 | ALDH1A1 (0.72) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL174369 | 0.80 | ALDH1A1 (0.72) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL19444447 | 0.80 | ALDH1A1 (0.72) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL580581 | 0.80 | ALDH1A1 (0.72) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL9642004 | 0.80 | ALDH1A1 (0.72) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL247292 | 0.80 | — | — | |
| SCHEMBL28684799 | 0.77 | ALDH1A1 (0.50) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL14621171 | 0.77 | ALDH1A1 (0.50) | ALDH1A1APLNRCYP3A4 |
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-2078018-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051494-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |