Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | NQO1 | P15559 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALB | P02768 | 1/20 | 0.48 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945686 | 0.87 | CYP2C9 (0.54) | CYP2C9ADORA3NQO1KDM4EALDH1A1 | |
| SCHEMBL8945399 | 0.85 | CYP2C9 (0.52) | CYP2C9ADORA3NQO1KDM4EALDH1A1 | |
| SCHEMBL8945389 | 0.81 | CYP2C9 (0.57) | CYP2C9ADORA3NQO1KDM4EALDH1A1 | |
| SCHEMBL8945546 | 0.81 | NQO1 (0.59) | CYP2C9ADORA3NQO1VKORC1 | |
| SCHEMBL7350826 | 0.80 | CYP2C9 (0.77) | CYP2C9NQO1KDM4EALDH1A1ALB | |
| SCHEMBL8945589 | 0.76 | CYP2C9 (0.57) | CYP2C9ADORA3NQO1VKORC1 | |
| SCHEMBL8042698 | 0.74 | CYP2C9 (0.86) | CYP2C9ADORA3NQO1KDM4EALDH1A1 | |
| SCHEMBL14078663 | 0.72 | CYP2C9 (0.72) | CYP2C9ADORA3NQO1VKORC1 | |
| SCHEMBL5100306 | 0.71 | CYP2C9 (0.71) | CYP2C9ADORA3NQO1KDM4EALDH1A1 | |
| SCHEMBL8945564 | 0.71 | VKORC1 (0.57) | CYP2C9ADORA3NQO1KDM4EALDH1A1 |
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 |