Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | QPCT | Q16769 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13617138 | 0.94 | QPCT (0.41) | HRH2HRH4HRH3QPCTALDH1A1 | |
| SCHEMBL13617135 | 0.85 | LMNA (0.38) | HRH2HRH4HRH3QPCTALDH1A1 | |
| SCHEMBL21324897 | 0.82 | QPCT (0.46) | QPCTALDH1A1GAAKDM4EEPHX2 | |
| SCHEMBL21533956 | 0.79 | HRH4 (0.46) | HRH2HRH4QPCTALDH1A1GAA | |
| SCHEMBL11817859 | 0.76 | EPHX1 (0.48) | HRH2HRH4HRH3QPCTKDM4E | |
| SCHEMBL13617133 | 0.75 | KEAP1 (0.49) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL17703299 | 0.75 | — | — | |
| SCHEMBL24285431 | 0.74 | EPHX1 (0.52) | HRH2KDM4EEPHX2 | |
| SCHEMBL6398229 | 0.74 | EPHX1 (0.52) | HRH2KDM4EEPHX2 | |
| SCHEMBL7221130 | 0.74 | HRH2 (0.44) | HRH2HRH4HRH3QPCTALDH1A1 |
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-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | 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 (1 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-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | SPINT2, DNPEP, PRSS1 | HRH2 4061/4885HRH4 4141/4885HRH3 4116/4885 |
“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.