Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6385159 | 1.00 | GFER (0.68) | GFERSMN1; SMN2KDM4EHTTLMNA | |
| SCHEMBL6385155 | 1.00 | GFER (0.68) | GFERSMN1; SMN2KDM4EHTTLMNA | |
| SCHEMBL17481681 | 0.84 | TSHR (0.61) | SMN1; SMN2HTTLMNAMEN1KMT2A | |
| SCHEMBL16057391 | 0.84 | TSHR (0.61) | SMN1; SMN2HTTLMNAMEN1KMT2A | |
| SCHEMBL16057394 | 0.84 | TSHR (0.61) | SMN1; SMN2HTTLMNAMEN1KMT2A | |
| SCHEMBL16057389 | 0.84 | TSHR (0.61) | SMN1; SMN2HTTLMNAMEN1KMT2A | |
| SCHEMBL6079023 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2KDM4EHTTLMNAMEN1 | |
| SCHEMBL6382811 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2KDM4EHTTLMNAMEN1 | |
| SCHEMBL6078369 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2KDM4EHTTLMNAMEN1 | |
| SCHEMBL6079459 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2KDM4EHTTLMNAMEN1 |
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 | GFER 1372/4885SMN1; SMN2 635/4885KDM4E 4769/4885 |
“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.