Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.51 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10155838 | 0.88 | BACE1 (0.51) | BACE1BACE2KCNH2CYP1A2CYP3A4 | |
| SCHEMBL10193576 | 0.86 | NPC1 (0.43) | BACE1BACE2 | |
| SCHEMBL10193150 | 0.83 | NPC1 (0.61) | BACE1BACE2 | |
| SCHEMBL10192948 | 0.82 | BACE1 (0.51) | BACE1BACE2KCNH2CYP1A2CYP3A4 | |
| SCHEMBL10193155 | 0.82 | BACE1 (0.54) | BACE1BACE2KCNH2 | |
| SCHEMBL21442355 | 0.82 | BACE1 (0.49) | BACE1BACE2KCNH2CYP1A2CYP3A4 | |
| SCHEMBL10193857 | 0.80 | BACE1 (0.51) | BACE1BACE2KCNH2CYP1A2CYP3A4 | |
| SCHEMBL18707723 | 0.80 | BACE1 (0.47) | BACE1BACE2KCNH2CYP1A2CYP3A4 | |
| SCHEMBL10193825 | 0.79 | BACE1 (0.63) | BACE1BACE2KCNH2CYP1A2CYP3A4 | |
| SCHEMBL15705153 | 0.78 | NPC1 (0.60) | BACE1BACE2KCNH2CYP1A2CYP3A4 |
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 2/4885KCNH2 1739/4885 |
“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.