Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | PRF1 | P14222 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12191020 | 0.90 | BACE1 (0.31) | — | |
| SCHEMBL14105548 | 0.84 | CYP2A6 (0.42) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL7557769 | 0.82 | CYP2A6 (0.37) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL13054593 | 0.82 | BACE1 (0.44) | — | |
| SCHEMBL7568544 | 0.82 | CYP2A6 (0.37) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL7581562 | 0.82 | BACE1 (0.44) | — | |
| SCHEMBL12191575 | 0.81 | BACE1 (0.47) | CYP3A4PRF1CYP2D6 | |
| SCHEMBL12190850 | 0.79 | DYRK1A (0.38) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL7603009 | 0.79 | PGR (0.36) | — | |
| SCHEMBL13558891 | 0.77 | BACE1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | 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-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | CYP2A6 2501/4885CYP2C19 1190/4885CYP2C9 1368/4885 |
“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.