Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 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 | |
|---|---|---|---|---|
| SCHEMBL8176603 | 0.85 | NQO2 (0.48) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8088676 | 0.80 | NOTUM (0.39) | ALDH1A1 | |
| SCHEMBL5320671 | 0.77 | HSD17B10 (0.33) | ALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL8169371 | 0.77 | PLAU (0.38) | NQO2PRSS1PRSS2PRSS3F10 | |
| SCHEMBL7191695 | 0.76 | NQO2 (0.44) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8169396 | 0.76 | NQO2 (0.44) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL4463655 | 0.76 | MAPT (0.32) | ALDH1A1 | |
| SCHEMBL1371003 | 0.75 | TP53 (0.43) | ALDH1A1 | |
| SCHEMBL7154087 | 0.74 | NPC1 (0.37) | — | |
| SCHEMBL15067982 | 0.74 | TRPA1 (0.39) | ALDH1A1 |
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-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |