Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.50 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193857 | 0.88 | BACE1 (0.51) | BACE1BACE2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10194904 | 0.87 | SMN1; SMN2 (0.42) | BACE1BACE2CYP2D6 | |
| SCHEMBL10193828 | 0.84 | SMN1; SMN2 (0.59) | BACE1BACE2 | |
| SCHEMBL10193209 | 0.81 | BACE1 (0.53) | BACE1BACE2KCNH2 | |
| SCHEMBL10155838 | 0.80 | BACE1 (0.51) | BACE1BACE2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19363021 | 0.79 | BACE1 (0.47) | BACE1BACE2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10155835 | 0.78 | BACE1 (0.62) | BACE1BACE2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18636701 | 0.78 | BACE1 (0.47) | BACE1BACE2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18636872 | 0.77 | BACE1 (0.47) | BACE1BACE2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18636861 | 0.76 | BACE1 (0.47) | BACE1BACE2CYP1A2CYP3A4CYP2D6 |
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-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | 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-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, BACE2, APP | BACE1 1/4885BACE2 2/4885CYP1A2 1956/4885 |
“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.