Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16618524 | 0.81 | CYP3A4 (0.72) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL25112741 | 0.78 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL25112951 | 0.78 | CYP3A4 (0.57) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL25112509 | 0.77 | CYP3A4 (0.56) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1763462 | 0.72 | CYP2C9 (0.73) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL2629111 | 0.70 | CYP2C9 (0.70) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1763051 | 0.70 | CYP2C9 (0.78) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL16618517 | 0.70 | CYP2C9 (0.81) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL17953047 | 0.70 | CYP2C9 (0.81) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL9942660 | 0.70 | CYP2C9 (0.74) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 |
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-2015051230-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | DREXEL UNIVERSITY (US) | 2015-04-09 | — | — | WO | claimed |