Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6754273 | 0.82 | KIF20A (0.48) | CYP2A6CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2928425 | 0.82 | KIF20A (0.48) | CYP2A6CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2074587 | 0.82 | CTSC (0.50) | CYP2A6CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL2074585 | 0.82 | CTSC (0.50) | CYP2A6CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL16553364 | 0.82 | CTSC (0.41) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13878057 | 0.80 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL4750423 | 0.77 | CYP2A6 (0.58) | CYP2A6MKNK1MKNK2CYP11B2CYP3A4 | |
| SCHEMBL14024057 | 0.77 | CYP2A6 (0.58) | CYP2A6MKNK1MKNK2CYP11B2CYP3A4 | |
| SCHEMBL12413787 | 0.76 | MKNK1 (0.61) | CYP2A6MKNK1MKNK2CYP11B2CYP3A4 | |
| SCHEMBL7606896 | 0.75 | SLC7A5 (0.56) | CYP2A6MKNK1MKNK2CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225196-B1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK CANADA INC (CA) | 2015-01-28 | — | — | EP | disclosed |
| 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 |
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 | CYP2A6 2730/4885MKNK1 1677/4885MKNK2 2437/4885 |
| US-20130244962-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | CTSL, SERPINB1, CTSZ | CYP2A6 3657/4885MKNK1 1579/4885MKNK2 2423/4885 |
“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.