Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17530237 | 0.82 | CTSS (0.52) | CTSLCTSKCTSSCTSBROCK2 | |
| SCHEMBL17530381 | 0.81 | CCR1 (0.62) | CCR1CTSLCTSKCTSSCCKBR | |
| SCHEMBL17530229 | 0.78 | CTSL (0.50) | CTSLCTSKCTSSCTSB | |
| SCHEMBL17529981 | 0.75 | CTSS (0.48) | CTSLCTSKCTSSCTSB | |
| SCHEMBL17530335 | 0.70 | CTSS (0.55) | CTSLCTSKCTSSCTSB | |
| SCHEMBL19702755 | 0.69 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL17530252 | 0.69 | CTSS (0.53) | CTSLCTSKCTSSCTSBROCK2 | |
| SCHEMBL17529983 | 0.67 | CTSS (0.57) | CCR1CTSLCTSKCTSSCTSB | |
| SCHEMBL17530018 | 0.67 | CCR1 (0.42) | CCR1CTSLCTSKCTSSACACB | |
| SCHEMBL17530369 | 0.66 | CTSL (0.59) | CTSLCTSKCTSSCTSB |
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-2016027284-A2 | PIPERIDINE UREAS AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS | ALKEM LABORATORIES LTD. (IN) | 2016-02-25 | — | — | WO | disclosed |