Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.56 |
| ▸ | NOS1 | P29475 | 4/20 | 0.56 |
| ▸ | NOS3 | P29474 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | CTSA | P10619 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13167670 | 0.79 | NOS2 (0.50) | NOS2NOS1NOS3KDM4EUSP2 | |
| SCHEMBL3718910 | 0.78 | HSP90AB1 (0.56) | NOS2NOS1NOS3KDM4EHSP90AA1 | |
| SCHEMBL13153815 | 0.78 | NOS2 (0.50) | NOS2NOS1NOS3KDM4EUSP2 | |
| SCHEMBL1577063 | 0.77 | NOS2 (0.52) | NOS2NOS1NOS3HSP90AA1HSP90AB1 | |
| SCHEMBL12250722 | 0.75 | NOS2 (0.66) | NOS2NOS1NOS3KDM4EUSP2 | |
| SCHEMBL14730003 | 0.75 | HSP90AB1 (0.44) | NOS2NOS1NOS3HSP90AA1HSP90AB1 | |
| SCHEMBL10901005 | 0.75 | HSP90AB1 (0.48) | NOS2NOS1NOS3HSP90AA1HSP90AB1 | |
| SCHEMBL15306037 | 0.75 | NUDT1 (0.45) | NOS2NOS1NOS3HSP90AA1HSP90AB1 | |
| SCHEMBL20313918 | 0.74 | NOS2 (0.59) | NOS2NOS1NOS3KDM4EUSP2 | |
| SCHEMBL8364061 | 0.73 | NOS2 (0.55) | NOS2NOS1NOS3HSP90AA1HSP90AB1 |
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-4128642-A | 2-(2-AMINOPYRIMIDIN-4-YL)-ETHENYL-QUINOXALINE-1,4-DIOXIDES | INTERNATIONAL MINERALS & CHEMICAL CORP. (US) | 1978-12-05 | — | — | US | disclosed |