Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 17/20 | 0.47 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 6/20 | 0.35 |
| ▸ | CTSB | P07858 | 3/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3070227 | 0.99 | CTSS (0.47) | CTSSAGTR2CTSLCTSBP2RX7 | |
| SCHEMBL700523 | 0.99 | CTSS (0.47) | CTSSAGTR2CTSLCTSBP2RX7 | |
| Lithium Ion SCHEMBL699527 | 0.91 | CTSS (0.41) | CTSSAGTR2CTSLCTSBP2RX7 | |
| SCHEMBL701680 | 0.91 | CTSS (0.51) | CTSSCTSLCTSBP2RX7PDE10A | |
| SCHEMBL701681 | 0.91 | CTSS (0.51) | CTSSCTSLCTSBP2RX7PDE10A | |
| SCHEMBL696363 | 0.86 | CTSS (0.49) | CTSSAGTR2CTSLCTSB | |
| SCHEMBL696364 | 0.86 | CTSS (0.49) | CTSSAGTR2CTSLCTSB | |
| SCHEMBL696326 | 0.85 | CTSS (0.55) | CTSSCTSLCTSB | |
| SCHEMBL696224 | 0.84 | CTSS (0.47) | CTSSAGTR2CTSLCTSB | |
| SCHEMBL695527 | 0.82 | CTSS (0.47) | CTSSAGTR2CTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |