Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10448227 | 0.75 | ATP1A1 (0.32) | — | |
| SCHEMBL12256024 | 0.74 | HMGCR (0.37) | CYP19A1 | |
| SCHEMBL10447665 | 0.69 | ATP1A1 (0.31) | — | |
| SCHEMBL14027147 | 0.68 | CYP19A1 (0.39) | CYP19A1 | |
| SCHEMBL10052131 | 0.67 | SMN1; SMN2 (0.32) | SMN1; SMN2 | |
| SCHEMBL18708554 | 0.66 | SMN1; SMN2 (0.34) | SMN1; SMN2 | |
| SCHEMBL13896533 | 0.66 | EPHX1 (0.41) | SMN1; SMN2TSHR | |
| SCHEMBL25382656 | 0.65 | ALDH1A1 (0.36) | TSHR | |
| SCHEMBL15486282 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL15487498 | 0.64 | ALDH1A1 (0.39) | TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331596-B1 | TCD BASED HYDROPHILIC POLYURETHANE DISPERSIONS | BAYER MATERIALSCIENCE AG (DE) | 2012-02-22 | — | — | EP | disclosed |