Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | ATP4A | P20648 | 2/20 | 0.46 |
| ▸ | ATP4B | P51164 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 4/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | F9 | P00740 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10156026 | 0.80 | C5AR1 (0.51) | ATP4AATP4BMAOBF9F10 | |
| SCHEMBL7636634 | 0.76 | GRIN2B (0.67) | GRIN2BGRIN1 | |
| SCHEMBL9062832 | 0.75 | NOS1 (0.68) | GRIN2BGRIN1NOS3NOS1NOS2 | |
| SCHEMBL4937029 | 0.73 | FYN (0.56) | MAOBBACE1HDAC4HDAC8 | |
| SCHEMBL3837938 | 0.73 | MAOB (0.51) | MAOBBACE1SLC9A1HDAC4HDAC8 | |
| SCHEMBL8772898 | 0.72 | NOS2 (0.60) | GRIN2BGRIN1NOS2 | |
| SCHEMBL18015799 | 0.71 | MAOB (0.56) | MAOBBACE1HDAC4HDAC8 | |
| SCHEMBL196765 | 0.70 | CYP3A4 (0.73) | MAOBHDAC4HDAC8 | |
| SCHEMBL29489425 | 0.70 | CYP3A4 (0.73) | MAOBHDAC4HDAC8 | |
| SCHEMBL7508333 | 0.70 | MAOB (0.54) | MAOBBACE1HDAC4HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2415756-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | US | disclosed |
| 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 | GRIN2B 328/4885GRIN1 558/4885ATP4A 455/4885 |
“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.