Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MPO | P05164 | 2/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5560864 | 0.87 | CYP1A2 (0.31) | MAPTMPOCYP1A2CYP2C19 | |
| SCHEMBL5561831 | 0.86 | NPBWR1 (0.35) | MGLLHRH3NPBWR1MCHR1 | |
| SCHEMBL5555927 | 0.85 | CYP1A2 (0.40) | SMN1; SMN2CYP2C9MGLLCYP1A2CYP2C19 | |
| SCHEMBL5560933 | 0.84 | PGR (0.39) | KDM4EHRH3 | |
| SCHEMBL5555467 | 0.80 | MPO (0.36) | MAPTHTTCYP2C9MPOXIAP | |
| SCHEMBL5562173 | 0.79 | EPAS1 (0.34) | MPOCYP1A2CYP2C19 | |
| SCHEMBL5560726 | 0.78 | CYP1A2 (0.41) | SMN1; SMN2CYP2C9MGLLCYP1A2CYP2C19 | |
| SCHEMBL5560810 | 0.76 | EPAS1 (0.36) | CYP1A2CYP2C19 | |
| SCHEMBL5561648 | 0.76 | EPAS1 (0.32) | CYP1A2CYP2C19 | |
| SCHEMBL5555325 | 0.74 | CYP1A2 (0.31) | MPOCYP1A2CYP2C19 |
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 |