Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GYS1 | P13807 | 1/20 | 0.49 |
| ▸ | CPT2 | P23786 | 1/20 | 0.48 |
| ▸ | CPT1A | P50416 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5743912 | 1.00 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1NPSR1KDM4EPABPC1 | |
| SCHEMBL7475648 | 0.87 | HPGD (0.58) | ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL3504947 | 0.87 | HPGD (0.58) | ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL9372814 | 0.87 | HPGD (0.58) | ALDH1A1L3MBTL1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL6039762 | 0.87 | ACE (0.55) | ALDH1A1SMN1; SMN2ACEKMT2A | |
| SCHEMBL6786426 | 0.87 | ACE (0.55) | ALDH1A1SMN1; SMN2ACEKMT2A | |
| SCHEMBL3183657 | 0.87 | ACE (0.55) | ALDH1A1SMN1; SMN2ACEKMT2A | |
| SCHEMBL3183667 | 0.87 | ACE (0.55) | ALDH1A1SMN1; SMN2ACEKMT2A | |
| SCHEMBL2175451 | 0.81 | ACE (0.54) | ALDH1A1SMN1; SMN2ACE | |
| SCHEMBL474742 | 0.81 | ACE (0.60) | ALDH1A1L3MBTL1SMN1; SMN2ACE |
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 5 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 |
| 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 |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | 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-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | CTSK, CTSH, CTSS | ALDH1A1 2193/4885L3MBTL1 3454/4885NPSR1 235/4885 |
“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.