Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | PREP | P48147 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4417131 | 0.94 | CASP3 (0.53) | CASP3CTSKCTSBCTSSCTSL | |
| SCHEMBL12156509 | 0.88 | CASP3 (0.45) | CASP3CTSKCTSBCTSLCASP1 | |
| SCHEMBL13600779 | 0.88 | CASP3 (0.45) | CASP3CTSKCTSBCTSLCASP1 | |
| SCHEMBL2785651 | 0.86 | CCR2 (0.49) | CASP3CTSKCTSBCTSLPREP | |
| SCHEMBL2785645 | 0.86 | CCR2 (0.49) | CASP3CTSKCTSBCTSLPREP | |
| SCHEMBL12156511 | 0.84 | CCR2 (0.61) | CASP3PREPALDH1A1GAA | |
| SCHEMBL13600773 | 0.84 | CASP3 (0.42) | CASP3CTSKCTSBCTSSCASP1 | |
| SCHEMBL12156505 | 0.84 | CASP3 (0.42) | CASP3CTSKCTSBCTSSCASP1 | |
| SCHEMBL28375684 | 0.84 | CCR2 (0.61) | CASP3PREPALDH1A1GAA | |
| SCHEMBL13600778 | 0.84 | CCR2 (0.61) | CASP3PREPALDH1A1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008014381-A2 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |