Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6384237 | 1.00 | CYP3A4 (0.52) | CYP3A4HSD17B10POLBSIGMAR1HPGD | |
| SCHEMBL6384233 | 1.00 | CYP3A4 (0.52) | CYP3A4HSD17B10POLBSIGMAR1HPGD | |
| SCHEMBL9457200 | 0.83 | CYP3A4 (0.52) | CYP3A4HSD17B10POLBSIGMAR1HPGD | |
| SCHEMBL9457203 | 0.83 | CYP3A4 (0.52) | CYP3A4HSD17B10POLBSIGMAR1HPGD | |
| SCHEMBL6385873 | 0.82 | NPC1 (0.47) | CYP3A4HSD17B10POLBHPGDALDH1A1 | |
| SCHEMBL7571842 | 0.82 | NPC1 (0.47) | CYP3A4HSD17B10POLBHPGDALDH1A1 | |
| SCHEMBL6385868 | 0.82 | NPC1 (0.47) | CYP3A4HSD17B10POLBHPGDALDH1A1 | |
| SCHEMBL1568578 | 0.80 | CYP3A4 (0.70) | CYP3A4HSD17B10POLBSIGMAR1HPGD | |
| SCHEMBL6385132 | 0.78 | EPHX2 (0.64) | SIGMAR1ALDH1A1RAB9AKMT2AMEN1 | |
| SCHEMBL28747903 | 0.77 | TSHR (0.80) | CYP3A4HSD17B10HPGDALDH1A1SMN1; 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-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 |
| EP-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | 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 | CYP3A4 3387/4885HSD17B10 4104/4885POLB 2262/4885 |
“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.