Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.35 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | FLT1 | P17948 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5560726 | 0.87 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19RHEBPSEN1 | |
| SCHEMBL5562261 | 0.87 | L3MBTL1 (0.39) | PDE4DPDE4BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5555927 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19RHEBPSEN1 | |
| SCHEMBL5556169 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19RHEBPSEN1 | |
| SCHEMBL5562098 | 0.79 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL5208321 | 0.78 | PDE4D (0.36) | PDE4DPDE4BKMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL14453961 | 0.77 | PSEN1 (0.39) | CYP1A2CYP2C9CYP2C19KMT2ARHEB | |
| SCHEMBL5562173 | 0.75 | EPAS1 (0.34) | CYP1A2CYP2C19 | |
| SCHEMBL5561153 | 0.74 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19RHEBPSEN1 | |
| SCHEMBL14471402 | 0.73 | ROCK2 (0.40) | PDE4DPDE4BKMT2AL3MBTL1RHEB |
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 |