Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 8/20 | 0.67 |
| ▸ | NQO1 | P15559 | 1/20 | 0.53 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL7354536 | 0.89 | CYP2C9 (0.69) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL27418866 | 0.88 | CYP2C9 (0.61) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL7359563 | 0.86 | CYP2C9 (0.58) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL7357584 | 0.84 | CYP2C9 (0.76) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL7355347 | 0.83 | CYP2C9 (0.74) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL7354675 | 0.82 | CCR4 (0.54) | CYP2C9 | |
| SCHEMBL7359848 | 0.82 | CYP2C9 (0.72) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL24500472 | 0.81 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL29392123 | 0.81 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL24500477 | 0.81 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994018188-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | THE UPJOHN COMPANY (US) | 1994-08-18 | — | — | WO | claimed |