Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19683278 | 0.89 | ALDH1A1 (0.32) | CYP3A4HPGDKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL19683281 | 0.89 | AURKA (0.32) | CYP3A4HPGDKDM4EAURKAALDH1A1 | |
| SCHEMBL19683276 | 0.88 | CYP3A4 (0.33) | CYP1A1CYP1A2CYP3A4HPGDCYP1B1 | |
| SCHEMBL19683286 | 0.88 | AURKA (0.35) | CYP1A1CYP1A2CYP3A4HPGDCYP1B1 | |
| SCHEMBL19683284 | 0.88 | CYP3A4 (0.32) | CYP1A1CYP1A2CYP3A4HPGDCYP1B1 | |
| SCHEMBL19683521 | 0.84 | — | — | |
| SCHEMBL19683427 | 0.80 | AURKA (0.33) | CYP3A4HPGDKDM4EAURKAALDH1A1 | |
| SCHEMBL19683504 | 0.79 | — | — | |
| SCHEMBL19683519 | 0.79 | — | — | |
| SCHEMBL19683514 | 0.78 | — | — |
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 |