Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 10/20 | 0.52 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8934515 | 0.80 | NQO1 (0.64) | NQO1VKORC1CNR2MAPTKDM4E | |
| SCHEMBL8945542 | 0.75 | CNR2 (0.52) | NQO1CNR2MAPTPOLBGPR55 | |
| SCHEMBL7800243 | 0.72 | NQO1 (0.51) | NQO1ADORA3KDM4EALDH1A1 | |
| SCHEMBL1648617 | 0.71 | VKORC1 (0.65) | NQO1VKORC1ALDH1A1 | |
| SCHEMBL1649873 | 0.70 | VKORC1 (0.64) | NQO1VKORC1ALDH1A1 | |
| SCHEMBL9614836 | 0.68 | — | — | |
| SCHEMBL13648962 | 0.68 | ABCG2 (0.52) | ADORA3ADORA2AMAPTKDM4EALDH1A1 | |
| SCHEMBL8496221 | 0.66 | MAOA (0.54) | NQO1MAPTKDM4EALDH1A1 | |
| SCHEMBL9842105 | 0.66 | MCL1 (0.56) | NQO1ADORA3ADORA2ACNR2MAPT | |
| SCHEMBL3171873 | 0.65 | VKORC1 (0.61) | NQO1VKORC1KDM4EALDH1A1GAA |
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 |