Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | VHL | P40337 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6297571 | 1.00 | LY96 (0.42) | LY96KDM4EPKMNR1H4PIK3CD | |
| SCHEMBL6303398 | 0.82 | LY96 (0.30) | LY96 | |
| SCHEMBL6303400 | 0.82 | LY96 (0.30) | LY96 | |
| SCHEMBL4574403 | 0.81 | KDM4E (0.44) | LY96KDM4EPKMNR1H4VHL | |
| SCHEMBL1124222 | 0.81 | KDM4E (0.48) | LY96KDM4EPKMNR1H4 | |
| SCHEMBL4574402 | 0.81 | KDM4E (0.44) | LY96KDM4EPKMNR1H4VHL | |
| SCHEMBL1124221 | 0.81 | KDM4E (0.48) | LY96KDM4EPKMNR1H4 | |
| SCHEMBL6296291 | 0.78 | KDM4E (0.34) | KDM4EPKMPIK3CD | |
| SCHEMBL6296293 | 0.78 | KDM4E (0.34) | KDM4EPKMPIK3CD | |
| SCHEMBL16072793 | 0.74 | KDM4E (0.35) | LY96KDM4EPKMNR1H4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050075390-A1 | HIV protease inhibitors | AGOURON PHARMACEUTICALS, INC. | 2005-04-07 | — | — | US | disclosed |
| US-6852711-B2 | Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for | AGOURON PHARMACEUTICALS, INC. (US) | 2005-02-08 | — | — | US | disclosed |
| US-20040106606-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2004-06-03 | — | — | US | disclosed |
| US-6528510-B1 | Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; | WARNER-LAMBERT COMPANY | 2003-03-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040106606-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | LY96 1003/4885KDM4E 1555/4885PKM 2193/4885 |
| US-20050075390-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | LY96 1036/4885KDM4E 1634/4885PKM 2199/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.