Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.55 |
| ▸ | CTSL | P07711 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 10/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15569565 | 1.00 | CTSS (0.55) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL7761583 | 1.00 | CTSS (0.55) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL1119084 | 0.90 | CTSL (0.56) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL3941405 | 0.89 | CTSL (0.57) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL4452037 | 0.89 | CASP1 (0.57) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL15569270 | 0.89 | CTSS (0.57) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL27617576 | 0.89 | CTSS (0.54) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL6254290 | 0.89 | CASP1 (0.57) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL7766094 | 0.88 | CTSL (0.50) | CTSSCTSLALDH1A1CYP3A4TSHR | |
| SCHEMBL7766108 | 0.88 | CTSL (0.50) | CTSSCTSLALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1828151-A2 | MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE | F.HOFFMANN-LA ROCHE AG (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061136-A2 | MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-15 | — | — | WO | disclosed |