Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL5373462 | 0.89 | CYP3A4 (0.41) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5364878 | 0.84 | PARP1 (0.43) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5364936 | 0.82 | PRMT5 (0.40) | CYP3A4CYP2C9TSHRCYP2C19KCNH2 | |
| SCHEMBL5368714 | 0.80 | CYP3A4 (0.53) | PARP1CYP3A4 | |
| SCHEMBL5375026 | 0.80 | CYP3A4 (0.46) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5373600 | 0.78 | CYP3A4 (0.45) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5368822 | 0.77 | PARP1 (0.33) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4805650 | 0.76 | CYP3A4 (0.47) | CYP3A4CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL5367070 | 0.73 | CYP3A4 (0.37) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5374044 | 0.72 | PARP1 (0.41) | PARP1CYP3A4CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |