Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 4/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.31 |
| ▸ | VEGFA | P15692 | 1/20 | 0.31 |
| ▸ | ARNT | P27540 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5560603 | 0.91 | KCNH2 (0.45) | KCNH2CYP3A4CNR1PTGDR2 | |
| SCHEMBL5561074 | 0.88 | PTGDR2 (0.34) | KCNH2PTGDR2MAPTKMT2A | |
| SCHEMBL5562337 | 0.85 | KCNH2 (0.45) | KCNH2CYP3A4EPAS1VEGFAARNT | |
| SCHEMBL5561581 | 0.83 | PGR (0.41) | MAPTKMT2A | |
| SCHEMBL5555878 | 0.83 | EPAS1 (0.38) | EPAS1 | |
| SCHEMBL14454033 | 0.81 | KCNH2 (0.43) | KCNH2CYP3A4CNR1EPAS1VEGFA | |
| SCHEMBL14454032 | 0.81 | KCNH2 (0.41) | KCNH2CYP3A4 | |
| SCHEMBL5561781 | 0.79 | PTGDR2 (0.38) | KCNH2PTGDR2MAPT | |
| SCHEMBL5555445 | 0.79 | CYP1A2 (0.41) | KCNH2CYP3A4PTGDR2KMT2A | |
| SCHEMBL5562279 | 0.79 | GABRB3 (0.32) | PTGDR2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1597235-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-08-15 | — | — | EP | disclosed |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |