Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19683276 | 0.95 | CYP3A4 (0.33) | AURKAALDH1A1CYP3A4ALOX15KDM4E | |
| SCHEMBL19683427 | 0.92 | AURKA (0.33) | AURKAALDH1A1CYP3A4ALOX15KDM4E | |
| SCHEMBL19683278 | 0.90 | ALDH1A1 (0.32) | ALDH1A1CYP3A4ALOX15KDM4ELMNA | |
| SCHEMBL19683285 | 0.89 | CYP1A1 (0.31) | AURKAALDH1A1CYP3A4KDM4EHPGD | |
| SCHEMBL19683286 | 0.89 | AURKA (0.35) | AURKAALDH1A1CYP3A4ALOX15KDM4E | |
| SCHEMBL19683519 | 0.84 | — | — | |
| SCHEMBL19683520 | 0.83 | — | — | |
| SCHEMBL19683507 | 0.80 | — | — | |
| SCHEMBL19683508 | 0.80 | — | — | |
| SCHEMBL19683422 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |