Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | OGG1 | O15527 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5564780 | 0.91 | OGG1 (0.38) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5556124 | 0.90 | EPAS1 (0.38) | MAPT | |
| SCHEMBL5559739 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5555927 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5555837 | 0.84 | PTGER4 (0.39) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5556106 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5561559 | 0.83 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5561153 | 0.82 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9PTGER4OGG1 | |
| SCHEMBL5556274 | 0.81 | CARM1 (0.39) | CYP2C19CYP2C9ALDH1A1MAPT | |
| SCHEMBL14453990 | 0.80 | MAPK8 (0.35) | KMT2AL3MBTL1ALDH1A1 |
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 |