Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19683405 | 0.92 | CYP2A6 (0.39) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683292 | 0.92 | CYP2A6 (0.39) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683273 | 0.91 | CYP2A6 (0.41) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683279 | 0.85 | CYP2A6 (0.35) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683426 | 0.85 | CYP2A6 (0.35) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683425 | 0.85 | CYP2A6 (0.35) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683275 | 0.85 | CYP2A6 (0.35) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683423 | 0.77 | MAOA (0.48) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683269 | 0.77 | MAOA (0.46) | CYP2A6MAOANFKB1KDM4ECYP3A4 | |
| SCHEMBL19683280 | 0.76 | KDM4E (0.31) | KDM4ECYP3A4HSD17B10 |
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 |