Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 3/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | MELK | Q14680 | 2/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL4759027 | 1.00 | GRM2 (0.37) | GRM2TAAR1PARP1PARP2CTSK | |
| SCHEMBL4699857 | 0.90 | BRD4 (0.36) | GRM2CTSKS1PR1S1PR5CTSS | |
| SCHEMBL4703179 | 0.88 | ENPP2 (0.37) | GRM2ENPP2 | |
| SCHEMBL4755888 | 0.88 | BRD4 (0.38) | CTSKCTSSCTSLCNR1 | |
| SCHEMBL4701812 | 0.88 | BRD4 (0.38) | CTSKCTSSCTSLCNR1 | |
| SCHEMBL4702352 | 0.88 | KDM4E (0.36) | CTSKCTSSCTSLP2RX7 | |
| SCHEMBL4704142 | 0.85 | CTSK (0.41) | CTSKCTSSCTSL | |
| SCHEMBL4699988 | 0.85 | P2RX7 (0.34) | CTSKCTSSCTSLP2RX7 | |
| SCHEMBL4698830 | 0.84 | CTSK (0.40) | CTSKCTSSCTSL | |
| SCHEMBL4701938 | 0.84 | USP30 (0.36) | CTSKCTSSCTSLP2RX7HRH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | claimed |
| US-7012075-B2 | Cathepsin cysteine protease inhibitors | MERCK & CO., INC. (US) | 2006-03-14 | — | — | US | claimed |
| US-20040198982-A1 | Cathepsin cysteine protease inhibitors | MERCK CANADA INC. (CA) | 2004-10-07 | — | — | US | claimed |
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | disclosed |
| US-7012075-B2 | Cathepsin cysteine protease inhibitors | MERCK & CO., INC. (US) | 2006-03-14 | — | — | US | disclosed |
| US-20040198982-A1 | Cathepsin cysteine protease inhibitors | MERCK CANADA INC. (CA) | 2004-10-07 | — | — | 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 (1 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-20040198982-A1 | Cathepsin cysteine protease inhibitors | CTSB, CTSS, CTSZ | GRM2 4761/4885TAAR1 4771/4885PARP1 3963/4885 |
“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.