Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.38 |
| ▸ | CTSL | P07711 | 4/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413188 | 0.76 | CTSS (0.39) | CTSSCTSLCTSBALDH1A1CTSK | |
| SCHEMBL7413191 | 0.75 | CTSS (0.37) | CTSSCTSLCTSBALDH1A1KDM4E | |
| SCHEMBL7419135 | 0.71 | CTSS (0.45) | CTSSCTSLCTSBCTSKMAPK14 | |
| SCHEMBL7417228 | 0.70 | CTSL (0.44) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7014338 | 0.69 | CTSS (0.44) | CTSSCTSLCTSBALDH1A1CTSK | |
| SCHEMBL7419241 | 0.69 | CTSL (0.43) | CTSSCTSLCTSBALDH1A1CTSK | |
| SCHEMBL7419245 | 0.69 | SIGMAR1 (0.41) | CTSSCTSLCTSBALDH1A1CTSK | |
| SCHEMBL7419141 | 0.68 | AGER (0.39) | LMNAHTTNPSR1 | |
| SCHEMBL6371524 | 0.68 | L3MBTL1 (0.40) | CTSSALDH1A1CTSKMAPK1KMT2A | |
| SCHEMBL7417235 | 0.67 | L3MBTL1 (0.35) | ALDH1A1KMT2AKDM4ELMNAHTT |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |