Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | CTSL | P07711 | 3/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL7413188 | 0.85 | CTSS (0.39) | CTSSCTSLCTSBALDH1A1LMNA | |
| SCHEMBL7419141 | 0.82 | AGER (0.39) | SIGMAR1LMNATMEM97HTTNPSR1 | |
| SCHEMBL7417235 | 0.79 | L3MBTL1 (0.35) | EPHX2ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL7014342 | 0.79 | CTSS (0.41) | CTSSEPHX2ALDH1A1KDM4EMMP13 | |
| SCHEMBL7422438 | 0.79 | PKM (0.42) | CTSSCTSLALDH1A1RAB9ASIGMAR1 | |
| SCHEMBL7414878 | 0.75 | BACE1 (0.41) | CTSSALDH1A1RAB9ASIGMAR1LMNA | |
| SCHEMBL6371524 | 0.75 | L3MBTL1 (0.40) | CTSSALDH1A1KDM4EHTTNPSR1 | |
| SCHEMBL7413183 | 0.75 | CTSS (0.38) | CTSSCTSLCTSBALDH1A1LMNA | |
| SCHEMBL7419135 | 0.71 | CTSS (0.45) | CTSSCTSLCTSB | |
| SCHEMBL7419245 | 0.70 | SIGMAR1 (0.41) | CTSSCTSLCTSBALDH1A1RAB9A |
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 |