Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.40 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6298371 | 1.00 | PTGS2 (0.52) | PTGS2NFE2L2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6296830 | 0.83 | APP (0.48) | PTGS2CYP1A2APPBACE1MAOA | |
| SCHEMBL6296829 | 0.83 | APP (0.48) | PTGS2CYP1A2APPBACE1MAOA | |
| SCHEMBL6302997 | 0.82 | CCR2 (0.43) | PTGS2NFE2L2CYP1A2APPTUBB1 | |
| SCHEMBL6302999 | 0.82 | CCR2 (0.43) | PTGS2NFE2L2CYP1A2APPTUBB1 | |
| SCHEMBL29323985 | 0.81 | PTGS2 (0.45) | PTGS2NFE2L2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL556337 | 0.80 | IAPP (0.59) | PTGS2NFE2L2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6297842 | 0.80 | HSD11B1 (0.62) | CYP1A1CYP1B1TNFRSF1AMAOAMAOB | |
| SCHEMBL6297840 | 0.80 | HSD11B1 (0.62) | CYP1A1CYP1B1TNFRSF1AMAOAMAOB | |
| SCHEMBL556336 | 0.80 | IAPP (0.59) | PTGS2NFE2L2CYP1A1CYP1A2CYP1B1 |
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 | PTGS2 3523/4885NFE2L2 4166/4885CYP1A1 1526/4885 |
| US-20050075390-A1 | HIV protease inhibitors | DNPEP, PREP, PEPD | PTGS2 3676/4885NFE2L2 4198/4885CYP1A1 1665/4885 |
“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.