Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 6/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL19683642 | 0.93 | CYP2A6 (0.41) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12277757 | 0.82 | CYP2A6 (0.52) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19683421 | 0.79 | CYP2A6 (0.48) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19683270 | 0.78 | CYP2A6 (0.47) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19683639 | 0.78 | ALDH1A1 (0.39) | HSD17B10 | |
| SCHEMBL20186998 | 0.76 | MAOA (0.44) | CYP2A6NFKB1MAOADYRK1A | |
| SCHEMBL19683423 | 0.75 | MAOA (0.48) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12278698 | 0.74 | CYP2A6 (0.47) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19683506 | 0.73 | MAOA (0.42) | NFKB1MAOA | |
| SCHEMBL4416833 | 0.72 | CYP2A6 (0.64) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 |
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 |