Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | DHODH | Q02127 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15054732 | 0.86 | CYP3A4 (0.75) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL17128366 | 0.86 | DHODH (0.74) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL31373277 | 0.84 | CYP3A4 (0.64) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL18987783 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL11198142 | 0.83 | DHODH (0.68) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL2654418 | 0.82 | CYP3A4 (0.61) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL10862825 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL25504852 | 0.82 | MEN1 (0.60) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL4154245 | 0.81 | DHODH (0.74) | CYP3A4CYP2D6DHODHGAAMEN1 | |
| SCHEMBL14845103 | 0.80 | DHODH (0.64) | CYP3A4CYP2D6DHODHGAAMEN1 |
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-2013096151-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2013-06-27 | — | — | WO | disclosed |