Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL12456007 | 0.87 | CYP2C9 (0.81) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL10077103 | 0.82 | CYP2C9 (0.65) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL15164817 | 0.81 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL16438149 | 0.81 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL17857845 | 0.80 | CYP2C9 (0.58) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL16440230 | 0.80 | CYP2C9 (0.58) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL22783599 | 0.80 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL30940373 | 0.79 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL30940370 | 0.79 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL2629237 | 0.78 | CYP2C9 (0.81) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013170-B1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |