Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 4/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6632750 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PTPN1PTPN2PTGER4 | |
| SCHEMBL6630204 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PTPN1PTPN2PTGER4 | |
| SCHEMBL7259162 | 0.97 | ALDH1A1 (0.40) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6632980 | 0.91 | ALDH1A1 (0.41) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6629847 | 0.86 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2PTGER4 | |
| SCHEMBL6632372 | 0.86 | PTPN1 (0.37) | ALDH1A1PTPN1PTPN2PTGER4 | |
| SCHEMBL6062609 | 0.86 | EPOR (0.39) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6633248 | 0.85 | LMNA (0.35) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL7255683 | 0.83 | LMNA (0.36) | ALDH1A1PTPN1PTPN2 | |
| SCHEMBL6063534 | 0.82 | CTSS (0.38) | ALDH1A1PTPN1PTPN2 |
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-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |