Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4621721 | 1.00 | APEX1 (0.36) | APEX1GABRR1CYP1A2ABCC4MAPT | |
| SCHEMBL3186100 | 0.87 | MAPT (0.40) | APEX1ABCC4MAPTNOS2 | |
| SCHEMBL3186090 | 0.87 | MAPT (0.40) | APEX1ABCC4MAPTNOS2 | |
| SCHEMBL17530133 | 0.81 | GABRR1 (0.42) | APEX1GABRR1CYP1A2NOS3NOS1 | |
| SCHEMBL2350703 | 0.80 | ALOX5 (0.40) | APEX1GABRR1CYP1A2 | |
| SCHEMBL159086 | 0.80 | ALOX5 (0.40) | APEX1GABRR1CYP1A2 | |
| SCHEMBL23829637 | 0.77 | ARG1 (0.55) | NOS3NOS1NOS2 | |
| SCHEMBL7932798 | 0.77 | ARG1 (0.55) | NOS3NOS1NOS2 | |
| SCHEMBL7845774 | 0.76 | GABRR1 (0.46) | APEX1GABRR1CYP1A2 | |
| SCHEMBL12344066 | 0.75 | TDP1 (0.39) | APEX1GABRR1CYP1A2NOS3NOS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080070885-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2008-03-20 | — | — | US | disclosed |
| EP-1654241-B1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2008-03-19 | — | — | EP | disclosed |
| US-20060223745-A1 | Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof | BETSCHART CLAUDIA | 2006-10-05 | — | — | US | disclosed |
| EP-1654241-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | Novartis AG (CH) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005003106-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2005-01-13 | — | — | WO | 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-20060223745-A1 | Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof | BACE1, APP, ACE | APEX1 1408/4885GABRR1 979/4885CYP1A2 2785/4885 |
| US-20080070885-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | BACE1, APP, BACE2 | APEX1 1223/4885GABRR1 917/4885CYP1A2 1619/4885 |
“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.