Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9204534 | 0.77 | NQO1 (0.45) | NQO1CYP2C19SMN1; SMN2KDM4EJAK2 | |
| SCHEMBL9212226 | 0.76 | NQO1 (0.47) | NQO1SMN1; SMN2GAAPKMPGAM1 | |
| SCHEMBL7353071 | 0.74 | CYP2C9 (0.50) | NQO1CYP2C19KDM4EPKMMEN1 | |
| SCHEMBL7816048 | 0.71 | VKORC1 (0.35) | NQO1CYP2C19KDM4EPOLBPKM | |
| SCHEMBL7352970 | 0.70 | VKORC1 (0.36) | NQO1KDM4EPOLBHTTMEN1 | |
| SCHEMBL9198421 | 0.69 | RAB9A (0.39) | NQO1SMN1; SMN2KDM4EJAK2POLB | |
| SCHEMBL5072364 | 0.68 | NQO1 (0.71) | NQO1CYP2C19KDM4EMAPK1MEN1 | |
| SCHEMBL7356243 | 0.67 | NQO1 (0.42) | NQO1SMN1; SMN2KDM4EJAK2POLB | |
| SCHEMBL7353065 | 0.66 | NQO1 (0.38) | NQO1 | |
| SCHEMBL7354790 | 0.66 | NQO1 (0.38) | NQO1SMN1; SMN2MAPK1HTTMEN1 |
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 |