Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.56 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.50 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1648003 | 0.80 | CYP2C9 (0.62) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL7351597 | 0.78 | CYP2C9 (0.82) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL1649881 | 0.75 | ADORA3 (0.65) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| Coumetarol SCHEMBL308833 | 0.75 | NQO1 (0.68) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL8042698 | 0.73 | CYP2C9 (0.86) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL8945266 | 0.73 | NQO1 (0.61) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL310481 | 0.73 | VKORC1 (0.82) | NQO1CYP2C9VKORC1 | |
| SCHEMBL14078661 | 0.73 | NQO1 (0.73) | NQO1CYP2C9VKORC1 | |
| SCHEMBL32659670 | 0.73 | VKORC1 (0.82) | NQO1CYP2C9VKORC1 | |
| SCHEMBL8945626 | 0.72 | NQO1 (0.50) | NQO1CYP2C9VKORC1KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |