Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 19/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13699584 | 0.92 | MLNR (0.47) | MLNRCYP3A4CYP2D6KCNH2XIAP | |
| SCHEMBL13699581 | 0.92 | MLNR (0.47) | MLNRCYP3A4CYP2D6KCNH2XIAP | |
| SCHEMBL13699611 | 0.86 | MLNR (0.36) | MLNRCYP3A4CYP2D6KCNH2XIAP | |
| SCHEMBL13699585 | 0.83 | MLNR (0.46) | MLNRCYP3A4 | |
| SCHEMBL13699596 | 0.82 | MDM2 (0.44) | MLNRCYP3A4KCNH2 | |
| SCHEMBL13699578 | 0.82 | MLNR (0.44) | MLNRCYP3A4CYP2D6KCNH2XIAP | |
| SCHEMBL13699589 | 0.80 | MDM2 (0.41) | MLNRCYP3A4 | |
| SCHEMBL13699588 | 0.79 | MDM2 (0.41) | MLNRCYP3A4XIAP | |
| SCHEMBL13699621 | 0.78 | MDM2 (0.37) | XIAP | |
| SCHEMBL13699597 | 0.78 | MDM2 (0.42) | MLNRCYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090221582-A1 | Piperazine Derivatives And Their Use In Therapy | VERNALIS (R&D) (GB) | 2009-09-03 | — | — | 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-20090221582-A1 | Piperazine Derivatives And Their Use In Therapy | CNR2, CNR1, ALK | MLNR 1674/4885CYP3A4 1990/4885CYP2D6 642/4885 |
“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.