Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5740768 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL31313411 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL7304666 | 0.92 | NPC1 (0.56) | NPC1RAB9A | |
| SCHEMBL6787214 | 0.84 | CA2 (0.59) | CA2 | |
| SCHEMBL6787220 | 0.84 | CA2 (0.59) | CA2 | |
| SCHEMBL28789388 | 0.84 | CA2 (0.67) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL13230 | 0.84 | CA2 (0.67) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL13229 | 0.84 | CA2 (0.67) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL5537767 | 0.83 | CA2 (0.75) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL6787910 | 0.83 | CA2 (0.75) | ALDH1A1CA2L3MBTL1SMN1; SMN2NPSR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | claimed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | claimed |
| WO-2015102418-A2 | PEPTIDOMIMETIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATING ALLERGIC DISORDERS INCLUDING SAME | 이화여자대학교 산학협력단 | 2015-07-09 | — | — | WO | disclosed |
| EP-2373674-A1 | 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES | Université Laval (CA) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010060215-A1 | 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES | UNIVERSITé LAVAL (CA) | 2010-06-03 | — | — | WO | disclosed |
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | 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 (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-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | CTSK, CTSH, CTSS | ALDH1A1 2193/4885CA2 283/4885L3MBTL1 3454/4885 |
“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.