Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.54 |
| ▸ | TOP1 | P11387 | 1/20 | 0.52 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ALB | P02768 | 1/20 | 0.51 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7358731 | 0.83 | NQO1 (0.65) | NQO1CYP2C9TOP1VKORC1KDM4E | |
| SCHEMBL7356446 | 0.80 | CYP2C9 (0.72) | NQO1CYP2C9TOP1VKORC1KDM4E | |
| SCHEMBL7354556 | 0.78 | CYP2C9 (0.69) | NQO1CYP2C9TOP1VKORC1KDM4E | |
| SCHEMBL7351018 | 0.77 | NQO1 (0.61) | NQO1CYP2C9TOP1VKORC1KDM4E | |
| SCHEMBL8623500 | 0.76 | CYP2C9 (0.62) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL7356247 | 0.76 | NQO1 (0.76) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL14033878 | 0.75 | VKORC1 (0.71) | NQO1CYP2C9VKORC1KDM4EALDH1A1 | |
| SCHEMBL8042698 | 0.74 | CYP2C9 (0.86) | NQO1CYP2C9TOP1VKORC1KDM4E | |
| SCHEMBL6953448 | 0.74 | RXRA (0.34) | NQO1CYP2C9KDM4EALDH1A1ADORA3 | |
| SCHEMBL8945552 | 0.73 | NQO1 (0.58) | 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 |