Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 6/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5350869 | 0.79 | PDE4A (0.48) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3367170 | 0.76 | BACE1 (0.59) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8265789 | 0.76 | DRD2 (0.43) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13176987 | 0.75 | BACE1 (0.35) | BACE1HSD17B3PDE4APDE4BPDE4C | |
| SCHEMBL8266027 | 0.75 | BACE1 (0.41) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5536001 | 0.74 | BACE1 (0.38) | BACE1SIGMAR1BACE2BRD4CTSD | |
| SCHEMBL3367319 | 0.74 | ADORA1 (0.41) | BACE1BACE2CTSDCYP2D6 | |
| SCHEMBL3362226 | 0.74 | BACE1 (0.63) | BACE1SIGMAR1PDE4APDE4BPDE4C | |
| SCHEMBL13114389 | 0.73 | BACE1 (0.40) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1634699 | 0.73 | BACE2 (0.43) | BACE1PDE4APDE4BPDE4CPDE4D |
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-20070232630-A1 | MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2007-10-04 | — | — | US | disclosed |
| WO-2007092839-A2 | MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-08-16 | — | — | WO | 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-20070232630-A1 | MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) | BACE2, BACE1, PSEN2 | BACE1 2/4885HSD17B3 2236/4885NOS3 4437/4885 |
“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.