Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7488912 | 0.88 | VKORC1 (0.39) | VKORC1CYP2C9CHRM2CHRM1CHRM4 | |
| SCHEMBL9198709 | 0.86 | CYP2C9 (0.40) | VKORC1CYP2C9MEN1KMT2A | |
| SCHEMBL9201210 | 0.85 | CYP2C9 (0.37) | VKORC1CYP2C9 | |
| SCHEMBL6177695 | 0.84 | CYP2C9 (0.38) | VKORC1CYP2C9MEN1KMT2A | |
| SCHEMBL9194038 | 0.82 | CYP2C9 (0.38) | VKORC1CYP2C9 | |
| SCHEMBL9195012 | 0.82 | CYP2C9 (0.33) | VKORC1CYP2C9LMNAMEN1KMT2A | |
| SCHEMBL9201135 | 0.81 | ELANE (0.47) | NPC1MEN1KMT2A | |
| SCHEMBL9199339 | 0.81 | ELANE (0.47) | NPC1MEN1KMT2A | |
| SCHEMBL9199422 | 0.81 | CYP2C9 (0.35) | VKORC1CYP2C9 | |
| SCHEMBL6173632 | 0.81 | CEL (0.40) | VKORC1CHRM3LMNATSHRMEN1 |
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-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | claimed |