Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 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 | 0.88 | CYP3A4 (0.41) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5374044 | 0.88 | PARP1 (0.41) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5364936 | 0.86 | PRMT5 (0.40) | CYP3A4CYP2C9TSHRCYP2C19HTR2A | |
| SCHEMBL5373702 | 0.86 | PARP1 (0.45) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5377601 | 0.84 | PARP1 (0.38) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5364926 | 0.82 | CYP3A4 (0.54) | PARP1CYP3A4ADORA2AADORA1HTR2A | |
| SCHEMBL5374033 | 0.82 | CYP3A4 (0.41) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4661620 | 0.79 | PARP1 (0.38) | PARP1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4807235 | 0.78 | APOBEC3G (0.40) | PARP1CYP3A4ADORA2AADORA1HTR2A | |
| SCHEMBL4810024 | 0.78 | SLC22A12 (0.45) | PARP1CYP3A4ADORA2AADORA1HTR2A |
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 |