Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 12/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL14570951 | 0.85 | CYP3A4 (0.36) | CYP3A4CYP2C9TSHRCYP2C19SLC22A12 | |
| SCHEMBL5365237 | 0.81 | CYP3A4 (0.36) | CYP3A4CYP2C9TSHRCYP2C19SLC22A12 | |
| SCHEMBL5373462 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP2C9TSHRCYP2C19PARP1 | |
| SCHEMBL5364878 | 0.73 | PARP1 (0.43) | CYP3A4CYP2C9TSHRCYP2C19PARP1 | |
| SCHEMBL5377601 | 0.73 | PARP1 (0.38) | CYP3A4CYP2C9TSHRCYP2C19PARP1 | |
| SCHEMBL5368822 | 0.72 | PARP1 (0.33) | CYP3A4CYP2C9TSHRCYP2C19PARP1 | |
| SCHEMBL5364936 | 0.71 | PRMT5 (0.40) | CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5370838 | 0.69 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14570722 | 0.67 | CYP3A4 (0.34) | CYP3A4CYP2C9TSHRCYP2C19SLC22A12 | |
| SCHEMBL5368939 | 0.67 | CYP3A4 (0.64) | CYP3A4CYP2C9TSHRCYP2C19PTGS2 |
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 2 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 |