Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 8/20 | 0.53 |
| ▸ | TP53 | P04637 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.45 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15076711 | 0.90 | CYP3A4 (0.67) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL15076488 | 0.88 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL15076702 | 0.88 | THRB (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL15277119 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL21623329 | 0.88 | CYP3A4 (0.70) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20647730 | 0.87 | MAPT (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL16903008 | 0.87 | MAPT (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL21623242 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL17124867 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL15076525 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KCNH2 |
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-9676747-B2 | Hepatitis B antiviral agents | NOVIRA THERAPEUTICS, INC. (US) | 2017-06-13 | — | — | US | disclosed |