Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.51 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6386712 | 1.00 | TAAR1 (0.56) | TAAR1EPHX2ALDH1A1EPHX1CYP2C19 | |
| SCHEMBL6386709 | 1.00 | TAAR1 (0.56) | TAAR1EPHX2ALDH1A1EPHX1CYP2C19 | |
| SCHEMBL18510326 | 0.89 | ALDH1A1 (0.50) | TAAR1EPHX2ALDH1A1EPHX1CYP2C19 | |
| SCHEMBL6385132 | 0.86 | EPHX2 (0.64) | TAAR1EPHX2ALDH1A1HDAC8HDAC6 | |
| SCHEMBL28554753 | 0.81 | EPHX2 (0.80) | TAAR1EPHX2ALDH1A1EPHX1CYP2C19 | |
| SCHEMBL2199017 | 0.81 | TAAR1 (0.48) | TAAR1EPHX2ALDH1A1EPHX1CYP2C19 | |
| SCHEMBL991352 | 0.81 | TAAR1 (0.65) | TAAR1EPHX2ALDH1A1EPHX1 | |
| SCHEMBL991353 | 0.81 | TAAR1 (0.65) | TAAR1EPHX2ALDH1A1EPHX1 | |
| SCHEMBL3641064 | 0.81 | TAAR1 (0.65) | TAAR1EPHX2ALDH1A1EPHX1 | |
| SCHEMBL13169536 | 0.80 | EPHX2 (0.83) | TAAR1EPHX2ALDH1A1EPHX1CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | claimed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | claimed |
| CN-1324006-C | Beta-amino acid nitrile derivs. | HOFFMANN LA ROCHE (CH) | 2007-07-04 | — | — | CN | disclosed |
| EP-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | disclosed |
| CN-1436168-A | Beta-amino acid nitrile derivs. | HOFFMANN LA ROCHE (CH) | 2003-08-13 | — | — | CN | disclosed |
| EP-1294679-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | disclosed |
| WO-2001096285-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-20 | — | — | 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-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | CTSK, CTSH, UACA | TAAR1 1740/4885EPHX2 3516/4885ALDH1A1 3459/4885 |
“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.