Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 6/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.37 |
| ▸ | HSF1 | Q00613 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6062878 | 0.84 | ALDH1A1 (0.44) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL5424669 | 0.84 | PTPN1 (0.41) | ALDH1A1PTPN1PTPN2HDAC3HDAC4 | |
| SCHEMBL6063377 | 0.84 | ALDH1A1 (0.44) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL5424670 | 0.84 | PTPN1 (0.41) | ALDH1A1PTPN1PTPN2HDAC3HDAC4 | |
| SCHEMBL6702107 | 0.83 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL6702111 | 0.83 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL6695960 | 0.83 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL6630202 | 0.83 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL6632738 | 0.83 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MAPTHPGD | |
| SCHEMBL6695966 | 0.83 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2MAPTHPGD |
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-1694357-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |