Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | CA12 | O43570 | 8/20 | 0.44 |
| ▸ | EPM2A | O95278 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.42 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3796719 | 0.81 | CYP2A6 (0.47) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL12135783 | 0.81 | CA2 (0.51) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL9075377 | 0.81 | CA2 (0.51) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL692366 | 0.81 | CYP2A6 (0.47) | CYP2A6CA2CA12EPM2APTPRC | |
| Hydrochloric Acid SCHEMBL27827959 | 0.79 | CYP2A6 (0.46) | CYP2A6CA2CA12EPM2APTPRC | |
| Hydrochloric Acid SCHEMBL27659768 | 0.79 | CYP2A6 (0.46) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL23841198 | 0.77 | CA2 (0.45) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL12597507 | 0.77 | CA2 (0.45) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL3793838 | 0.77 | CA2 (0.51) | CYP2A6CA2CA12EPM2APTPRC | |
| SCHEMBL12468448 | 0.77 | CA2 (0.55) | CYP2A6CA2CA12DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-9403789-B2 | Benzofuran-containing amino acid inhibitors of cytochrome P450 | SEQUOIA PHARMACEUTICALS, INC. (US) | 2016-08-02 | — | — | US | disclosed |