Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | PTGES | O14684 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 8/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 8/20 | 0.41 |
| ▸ | RELA | Q04206 | 8/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | CETP | P11597 | 2/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769593 | 1.00 | HMGCR (0.54) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL10698012 | 1.00 | HMGCR (0.54) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL9769594 | 0.92 | HMGCR (0.49) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL9769587 | 0.92 | HMGCR (0.49) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL10698010 | 0.88 | HMGCR (0.45) | HMGCRPTPN1 | |
| SCHEMBL9769614 | 0.86 | HMGCR (0.46) | HMGCR | |
| SCHEMBL9766813 | 0.84 | HMGCR (0.53) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL9766817 | 0.84 | HMGCR (0.53) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL9766823 | 0.84 | HMGCR (0.52) | HMGCRPTPN1PTGESNFKB1NFKB2 | |
| SCHEMBL9644097 | 0.83 | HMGCR (0.51) | HMGCRPTPN1PTGESNFKB1NFKB2 |
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-5041432-A | Enzyme inhibitors | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-08-20 | — | — | US | disclosed |
| US-5034548-A | Enzyme inhibitors for reducing serum cholesterol | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-07-23 | — | — | US | disclosed |
| EP-0276823-A2 | 14,15-Substituted lanosterols and their use as hypocholesterolemic agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-08-03 | — | — | EP | disclosed |