Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 3/20 | 0.63 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6952277 | 0.90 | NQO1 (0.54) | NQO1KDM4ETP53POLBCNR2 | |
| SCHEMBL8945436 | 0.88 | VKORC1 (0.55) | NQO1VKORC1KDM4EALDH1A1LMNA | |
| SCHEMBL7379480 | 0.85 | VKORC1 (0.55) | NQO1VKORC1KDM4EALDH1A1LMNA | |
| SCHEMBL8945586 | 0.83 | NQO1 (0.58) | NQO1MAPTTP53POLBCNR2 | |
| SCHEMBL9210274 | 0.83 | NQO1 (0.67) | NQO1VKORC1MAPTKDM4EALDH1A1 | |
| SCHEMBL8945339 | 0.82 | NQO1 (0.47) | NQO1VKORC1MAPTTP53POLB | |
| SCHEMBL8945707 | 0.81 | NQO1 (0.46) | NQO1MAPTTP53POLBCNR2 | |
| SCHEMBL8945542 | 0.78 | CNR2 (0.52) | NQO1MAPTPOLBCNR2CNR1 | |
| SCHEMBL28510435 | 0.77 | NQO1 (0.82) | NQO1VKORC1MAPTKDM4EALDH1A1 | |
| SCHEMBL8945643 | 0.74 | MAPT (0.44) | NQO1MAPTKDM4EALDH1A1POLB |
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 |