Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RHEB | Q15382 | 2/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.33 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5561288 | 0.91 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9RHEBPTGDR2 | |
| SCHEMBL5561074 | 0.87 | PTGDR2 (0.34) | PTGDR2KCNH2SMN1; SMN2NPSR1KMT2A | |
| SCHEMBL5561149 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9RHEBCYP3A4 | |
| SCHEMBL5561960 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9RHEBCYP3A4 | |
| SCHEMBL5555318 | 0.85 | NCOA1 (0.39) | CYP1A2PTGDR2SMN1; SMN2EGFRLMNA | |
| SCHEMBL5555927 | 0.83 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9RHEBCYP3A4 | |
| SCHEMBL5555878 | 0.82 | EPAS1 (0.38) | SMN1; SMN2MGLL | |
| SCHEMBL5560926 | 0.79 | KCNH2 (0.47) | PTGDR2CYP3A4KCNH2KMT2A | |
| SCHEMBL5561781 | 0.78 | PTGDR2 (0.38) | PTGDR2KCNH2 | |
| SCHEMBL5562279 | 0.78 | GABRB3 (0.32) | PTGDR2 |
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 4 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 |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |