Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974863 | 0.93 | CYP3A4 (0.49) | CYP3A4 | |
| SCHEMBL15303128 | 0.91 | CYP3A4 (0.60) | CYP3A4CYP2D6 | |
| SCHEMBL9974825 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2D6 | |
| SCHEMBL9940593 | 0.84 | CYP3A4 (0.60) | CYP3A4 | |
| SCHEMBL9940484 | 0.82 | CYP3A4 (0.46) | CYP3A4 | |
| SCHEMBL9974827 | 0.82 | CYP3A4 (0.46) | CYP3A4DRD2SLC6A4CYP2D6 | |
| SCHEMBL15302767 | 0.81 | CYP3A4 (0.66) | CYP3A4CYP2D6 | |
| SCHEMBL9940791 | 0.80 | CYP3A4 (0.49) | CYP3A4CYP2D6 | |
| SCHEMBL15307890 | 0.80 | CYP3A4 (0.46) | CYP3A4 | |
| SCHEMBL18056523 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP2D6 |
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-2012080447-A1 | INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS | JANSSEN R&D IRELAND (IE) | 2012-06-21 | — | — | WO | disclosed |