Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22966408 | 0.94 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL25873159 | 0.87 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL22966421 | 0.86 | CYP3A4 (0.43) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL11352878 | 0.83 | CYP3A4 (0.61) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL22966275 | 0.81 | CYP3A4 (0.39) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL11334927 | 0.75 | CYP3A4 (0.70) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL25873157 | 0.74 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL15092 | 0.74 | CYP3A4 (1.00) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL27946613 | 0.72 | CYP3A4 (0.95) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL7585382 | 0.70 | CYP3A4 (0.52) | CYP3A4ALDH1A1HPGDTDP1TRPA1 |
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-20240016699-A1 | PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES | CORNING INC (US) | 2024-01-18 | — | — | US | disclosed |
| US-11707411-B2 | Pharmaceutical packages with coatings comprising polycyanurates | CORNING INCORPORATED (US) | 2023-07-25 | — | — | US | disclosed |
| US-20210038474-A1 | PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES | CORNING INCORPORATED | 2021-02-11 | — | — | US | disclosed |