Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL31362148 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL14639904 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP3A4 | |
| SCHEMBL7097982 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP3A4 | |
| SCHEMBL19924891 | 0.77 | — | — | |
| SCHEMBL462575 | 0.75 | ALDH1A1 (0.63) | ALDH1A1CYP3A4 | |
| SCHEMBL28928267 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP3A4 | |
| SCHEMBL2869397 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP3A4 | |
| SCHEMBL2762954 | 0.73 | ALDH1A1 (0.60) | ALDH1A1CYP3A4 | |
| SCHEMBL26802934 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP3A4 | |
| SCHEMBL1081188 | 0.69 | ALDH1A1 (0.51) | ALDH1A1CYP3A4 |
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-1746118-A1 | POLYURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN COMPOSED OF SAME | Mitsui Chemicals, Inc. (JP) | 2007-01-24 | — | — | EP | disclosed |