Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6689218 | 1.00 | CTSS (0.36) | CTSSOPRK1CYP3A4CYP2C9CCKBR | |
| SCHEMBL6689219 | 1.00 | CTSS (0.36) | CTSSOPRK1CYP3A4CYP2C9CCKBR | |
| SCHEMBL6689222 | 1.00 | CTSS (0.36) | CTSSOPRK1CYP3A4CYP2C9CCKBR | |
| SCHEMBL6697739 | 0.92 | CTSS (0.38) | CTSSCYP3A4CYP2C9PTPN2PTPN1 | |
| SCHEMBL6063530 | 0.92 | CTSS (0.38) | CTSSCYP3A4CYP2C9PTPN2PTPN1 | |
| SCHEMBL6697745 | 0.92 | CTSS (0.38) | CTSSCYP3A4CYP2C9PTPN2PTPN1 | |
| SCHEMBL6630597 | 0.91 | CTSS (0.35) | CTSSCYP3A4CYP2C9PTPN2PTPN1 | |
| SCHEMBL6630590 | 0.91 | CTSS (0.35) | CTSSCYP3A4CYP2C9PTPN2PTPN1 | |
| SCHEMBL6630594 | 0.91 | CTSS (0.35) | CTSSCYP3A4CYP2C9PTPN2PTPN1 | |
| SCHEMBL6650135 | 0.85 | CTSS (0.45) | CTSSCYP3A4CYP2C9 |
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 |