Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PREP | P48147 | 3/20 | 0.47 |
| ▸ | FAP | Q12884 | 2/20 | 0.47 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.47 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2504314 | 1.00 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HCRTR1HCRTR2KDM4E | |
| SCHEMBL26265725 | 0.82 | MEN1 (0.54) | ALDH1A1HCRTR1HCRTR2KDM4EMEN1 | |
| SCHEMBL15473578 | 0.81 | HCRTR1 (0.48) | ALDH1A1HCRTR1HCRTR2MEN1KMT2A | |
| SCHEMBL5741179 | 0.81 | GAA (0.45) | ALDH1A1SMN1; SMN2HCRTR1HCRTR2GAA | |
| SCHEMBL19474987 | 0.81 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CA2 | |
| SCHEMBL20858858 | 0.81 | ITGB1 (0.67) | ALDH1A1SMN1; SMN2KMT2ACA2 | |
| SCHEMBL19474986 | 0.81 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CA2 | |
| SCHEMBL3667032 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2CA2 | |
| SCHEMBL1309116 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2CA2 | |
| SCHEMBL1307699 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 2193/4885SMN1; SMN2 683/4885HCRTR1 2039/4885 |
“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.