Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.65 |
| ▸ | NQO1 | P15559 | 3/20 | 0.60 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALB | P02768 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356919 | 1.00 | CYP2C9 (0.65) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL7379474 | 0.90 | CYP2C9 (0.68) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL9277714 | 0.90 | CYP2C9 (0.68) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL9204503 | 0.84 | CYP2C9 (0.73) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL7352871 | 0.84 | CYP2C9 (0.73) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL27819202 | 0.83 | CYP2C9 (0.72) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL7356608 | 0.83 | CYP2C9 (0.59) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL8042698 | 0.83 | CYP2C9 (0.86) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| SCHEMBL7350378 | 0.81 | CYP2C9 (0.70) | CYP2C9NQO1VKORC1MEN1KMT2A | |
| Phenprocoumon SCHEMBL24500472 | 0.79 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | disclosed |