Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TOP1 | P11387 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.43 |
| ▸ | WDR5 | P61964 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MASP2 | O00187 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL7191695 | 0.80 | NQO2 (0.44) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8557318 | 0.76 | NQO2 (0.48) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8485694 | 0.74 | WDR5 (0.57) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8169720 | 0.73 | C1S (0.44) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8170510 | 0.73 | NQO2 (0.44) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8174039 | 0.73 | NQO2 (0.43) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8169108 | 0.73 | LMNA (0.48) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL11501514 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL10449127 | 0.73 | ACHE (0.32) | ALDH1A1HPGDHSD17B10TDP1LMNA | |
| SCHEMBL6189586 | 0.72 | ALDH1A1 (0.33) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |