Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL5381870 | 0.85 | CYP3A4 (0.48) | CYP3A4AKR1B1ARDAOCNR2 | |
| SCHEMBL5374280 | 0.84 | CYP3A4 (0.50) | CYP3A4AKR1B1PDE3BPDE3AHSD17B10 | |
| SCHEMBL5368836 | 0.83 | CYP3A4 (0.64) | CYP3A4AKR1B1PDE3BPDE3ADAO | |
| SCHEMBL5373848 | 0.83 | CYP3A4 (0.54) | CYP3A4ARHSD17B10KDM4EPARP1 | |
| SCHEMBL5382621 | 0.80 | CYP3A4 (0.54) | CYP3A4AKR1B1DAOALDH1A1 | |
| SCHEMBL5367073 | 0.79 | CYP3A4 (0.44) | CYP3A4AKR1B1ADORA2ACYP2C19KDM4E | |
| SCHEMBL5386101 | 0.74 | NR4A2 (0.47) | CYP3A4AKR1B1 | |
| SCHEMBL5374344 | 0.74 | CYP3A4 (0.43) | CYP3A4AKR1B1CYP2C19 | |
| SCHEMBL5374337 | 0.73 | CYP3A4 (0.47) | CYP3A4AKR1B1CYP2C19 | |
| SCHEMBL5371246 | 0.72 | CYP3A4 (0.48) | CYP3A4ALDH1A1PARP1 |
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 |