Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 6/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.36 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5107612 | 0.83 | LCK (0.37) | PARP1 | |
| SCHEMBL6802462 | 0.82 | ALDH1A1 (0.46) | ADRA1DADRA1AADRA2BADRA1B | |
| SCHEMBL3754934 | 0.82 | MAPK8 (0.39) | ATMKCNH2PARP1MAPK8PARP2 | |
| SCHEMBL6803102 | 0.78 | IKBKB (0.51) | GSK3BIKBKBCHUKCDC7 | |
| SCHEMBL2927261 | 0.78 | CES2 (0.43) | CASP1 | |
| SCHEMBL2921307 | 0.78 | KDM4E (0.41) | CASP1ADRA1DIRAK4 | |
| SCHEMBL31171322 | 0.77 | POLB (0.42) | CASP1PIK3CAPIK3CBMTORPRKDC | |
| SCHEMBL6795801 | 0.76 | PTGS2 (0.41) | ATM | |
| SCHEMBL14136790 | 0.74 | CASP1 (0.44) | CASP1PIK3CAPIK3CBMTORPRKDC | |
| SCHEMBL30521401 | 0.73 | KMT2A (0.49) | CASP1PIK3CAPIK3CBMTORPRKDC |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225196-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | Merck Frosst Canada Ltd. (CA) | 2010-09-08 | — | — | EP | claimed |
| WO-2009067797-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK FROSST CANADA LTD. (CA) | 2009-06-04 | — | — | WO | claimed |
| US-8642799-B2 | Cysteine protease inhibitors for the treatment of parasitic diseases | MERCK CANADA INC. (CA) | 2014-02-04 | — | — | US | disclosed |
| US-20130244962-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK FROSST CANADA LTD. (CA) | 2013-09-19 | — | — | US | disclosed |
| US-20100305056-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE | MERCK FROSST CANADA LTD. (CA) | 2010-12-02 | — | — | US | disclosed |
| EP-2225196-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | Merck Frosst Canada Ltd. (CA) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009067797-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK FROSST CANADA LTD. (CA) | 2009-06-04 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100305056-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE | CTSL, SERPINB1, CTSZ | CASP1 102/4885PIK3CA 4132/4885PIK3CB 3426/4885 |
| US-20130244962-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | CTSL, SERPINB1, CTSZ | CASP1 177/4885PIK3CA 4197/4885PIK3CB 3528/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.