Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 9/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | TEK | Q02763 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5561726 | 0.88 | KCNH2 (0.40) | — | |
| SCHEMBL5555674 | 0.86 | EPAS1 (0.41) | HRH3KDRSCN9A | |
| SCHEMBL5560668 | 0.84 | MAPT (0.37) | HRH3KDM4E | |
| SCHEMBL5561581 | 0.84 | PGR (0.41) | PGRHRH3KDM4E | |
| SCHEMBL5562337 | 0.83 | KCNH2 (0.45) | — | |
| SCHEMBL5555878 | 0.72 | EPAS1 (0.38) | HRH3SCN9A | |
| SCHEMBL14471297 | 0.70 | PGR (0.41) | PGRKDM4E | |
| SCHEMBL5560889 | 0.69 | KCNH2 (0.34) | — | |
| SCHEMBL5560926 | 0.69 | KCNH2 (0.47) | — | |
| SCHEMBL5562173 | 0.69 | EPAS1 (0.34) | — |
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 3 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 |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |