Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 4/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL6063416 | 0.92 | ACACB (0.36) | ACACBPTPN2PTPN1CYP3A4SCN9A | |
| SCHEMBL6061710 | 0.88 | MAPT (0.42) | PTPN2PTPN1CTSKPPARGPPARD | |
| SCHEMBL6628447 | 0.88 | MAPT (0.42) | PTPN2PTPN1CTSKPPARGPPARD | |
| SCHEMBL6630261 | 0.84 | ACACB (0.38) | ACACBPTPN2PTPN1ACACA | |
| SCHEMBL6628340 | 0.81 | ACACB (0.36) | ACACBCYP3A4SCN9ACTSKCTSS | |
| SCHEMBL6628343 | 0.81 | ACACB (0.36) | ACACBCYP3A4SCN9ACTSKCTSS | |
| SCHEMBL6627857 | 0.81 | ACACB (0.36) | ACACBCYP3A4SCN9ACTSKCTSS | |
| SCHEMBL6687635 | 0.80 | CTSK (0.46) | PTPN2PTPN1CTSKCTSS | |
| SCHEMBL6628517 | 0.80 | CTSK (0.46) | PTPN2PTPN1CTSKCTSS | |
| SCHEMBL6630258 | 0.80 | MAPT (0.39) | ACACBCYP3A4SCN9AACACA |
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 |