Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | MC5R | P33032 | 2/20 | 0.61 |
| ▸ | MC3R | P41968 | 1/20 | 0.61 |
| ▸ | MC1R | Q01726 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742971 | 1.00 | CYP2C19 (0.65) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL26421741 | 0.90 | MAPK1 (0.61) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL13837136 | 0.90 | CYP2C19 (0.69) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL12480383 | 0.90 | CYP2C19 (0.69) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL26417454 | 0.87 | MAPK1 (0.58) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL26426535 | 0.85 | MAPK1 (0.59) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL15245360 | 0.84 | KMT2A (0.62) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL11218785 | 0.83 | ADAM17 (0.56) | CYP2C19KMT2AMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL29206532 | 0.83 | MAPK1 (0.54) | CYP2C19KMT2AMAPK1L3MBTL1MC5R | |
| SCHEMBL5546470 | 0.83 | ACE (0.57) | ALDH1A1SMN1; SMN2 |
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 | CYP2C19 2377/4885KMT2A 4729/4885MAPK1 1752/4885 |
“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.