Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.62 |
| ▸ | CPB1 | P15086 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | CTSB | P07858 | 2/20 | 0.60 |
| ▸ | CTSS | P25774 | 2/20 | 0.60 |
| ▸ | CTSK | P43235 | 2/20 | 0.60 |
| ▸ | CTSL | P07711 | 1/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6200834 | 1.00 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL22204568 | 1.00 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL6082958 | 1.00 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL10007480 | 1.00 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL6200837 | 1.00 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL25391512 | 0.99 | CASP3 (0.61) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL24515807 | 0.97 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL4496128 | 0.97 | CASP3 (0.62) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL10148184 | 0.91 | CPB1 (0.72) | CASP3CPB1ALDH1A1GAACTSB | |
| SCHEMBL3063260 | 0.91 | CPB1 (0.72) | CASP3CPB1ALDH1A1GAACTSB |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377589-B1 | OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | PHARMACIA ITALIA SPA (IT) | 2005-09-07 | — | — | EP | claimed |
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| EP-1633701-A1 | BENZAMIDE NITRILE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-03-15 | — | — | EP | disclosed |
| EP-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004106285-A1 | BENZAMIDE NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-09 | — | — | WO | disclosed |
| US-20040248949-A1 | Benzamide nitriles | ROCHE PALO ALTO LLC | 2004-12-09 | — | — | US | disclosed |
| EP-1435948-A1 | AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | Pharmacia Italia S.p.A. (IT) | 2004-07-14 | — | — | EP | disclosed |
| EP-1294679-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| WO-2003013517-A1 | AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | PHARMACIA ITALIA S.P.A. (IT) | 2003-02-20 | — | — | WO | 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 |
| WO-2001096285-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-20 | — | — | WO | disclosed |
| EP-0219852-B1 | CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1992-02-05 | — | — | EP | disclosed |
| US-5064945-A | Antitumor Agents | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1991-11-12 | — | — | US | disclosed |
| US-4927919-A | ANTITUMOR AGENTS | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1990-05-22 | — | — | US | disclosed |
| EP-0159708-B1 | CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1989-12-13 | — | — | EP | disclosed |
| US-4760136-A | Chartreusin derivatives and salts thereof | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1988-07-26 | — | — | US | disclosed |
| EP-0219852-A2 | Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for producing the same | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1987-04-29 | — | — | EP | disclosed |
| EP-0171277-A2 | Improvements in or relating to tricycling quinoline derivatives | ELI LILLY AND COMPANY (US) | 1986-02-12 | — | — | EP | disclosed |
| EP-0159708-A2 | Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1985-10-30 | — | — | EP | disclosed |
| US-4537964-A | Method of preparing permissibly-substituted 1H(and 2H)pyrazolo[3,4-g]quinolines; pyrimido[4,5,g]quinolines; thiazolo[4,5,g]quinolines and intermediates therefore | ELI LILLY AND COMPANY (US) | 1985-08-27 | — | — | US | 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-20040248949-A1 | Benzamide nitriles | CTSK, CTSS, CMA1 | CASP3 243/4885CPB1 486/4885ALDH1A1 349/4885 |
“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.