Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | FADS1 | O60427 | 5/20 | 0.39 |
| ▸ | CCNC | P24863 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.37 |
| ▸ | GSK3A | P49840 | 3/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221052 | 0.81 | GSK3B (0.68) | GSK3BFADS1GSK3AMAPK1 | |
| SCHEMBL7216442 | 0.81 | CDK2 (0.44) | GSK3BFADS1GSK3AMAPK1 | |
| SCHEMBL7214763 | 0.80 | FADS1 (0.56) | GSK3BFADS1CCNCCDK8GRM4 | |
| SCHEMBL2671952 | 0.79 | PDPK1 (0.58) | GSK3BFADS1CCNCCDK8 | |
| SCHEMBL5773496 | 0.79 | FADS1 (0.60) | GSK3BFADS1CCNCCDK8GRM4 | |
| SCHEMBL2431672 | 0.79 | FADS1 (0.55) | GSK3BFADS1NTRK1GSK3AMAPK1 | |
| SCHEMBL4007120 | 0.79 | GSK3B (0.69) | GSK3BFADS1CCNCCDK8NTRK1 | |
| SCHEMBL26400882 | 0.79 | MAP2K7 (0.50) | GSK3BFADS1CCNCCDK8NTRK1 | |
| SCHEMBL12064447 | 0.76 | NTRK1 (0.47) | GSK3BNTRK1GSK3AGRM4 | |
| SCHEMBL12056341 | 0.76 | GRM4 (0.44) | GSK3BFADS1CCNCCDK8NTRK1 |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| EP-0837855-A4 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | DU PONT MERCK PHARMA (US) | 1998-09-02 | — | — | EP | claimed |
| CN-1192209-A | Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas | DU PONT MERCK PHARMA (US) | 1998-09-02 | — | — | CN | claimed |
| EP-0858999-A1 | Substituted cyclic carbonyls and derivatives thereof useful as retroviral protease inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-08-19 | — | — | EP | claimed |
| EP-0837855-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-29 | — | — | EP | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| WO-1996040652-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-19 | — | — | WO | claimed |
| WO-1996029329-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-26 | — | — | WO | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | claimed |
| US-5532357-A | Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | claimed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | claimed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | claimed |
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |