Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 17/20 | 0.60 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | JAK1 | P23458 | 3/20 | 0.47 |
| ▸ | TYK2 | P29597 | 3/20 | 0.47 |
| ▸ | JAK3 | P52333 | 3/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.43 |
| ▸ | PLK4 | O00444 | 2/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.43 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | MARK3 | P27448 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6484316 | 0.83 | PDPK1 (0.60) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL10213929 | 0.78 | JAK2 (0.81) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL118573 | 0.78 | JAK2 (0.64) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL7216742 | 0.78 | JAK2 (0.37) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL7356527 | 0.78 | ADORA2A (0.46) | JAK2PDPK1 | |
| SCHEMBL24144678 | 0.75 | JAK2 (0.60) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL29521013 | 0.75 | JAK2 (0.60) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL482445 | 0.75 | JAK2 (0.67) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL10130802 | 0.75 | JAK2 (0.60) | JAK2PDPK1KDM4ECYP3A4GAA | |
| SCHEMBL10112094 | 0.75 | JAK2 (0.60) | JAK2PDPK1KDM4ECYP3A4GAA |
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 26 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-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-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 |
| US-6908919-B2 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-06-21 | — | — | US | disclosed |
| 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 |
| CN-1351595-A | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CO (US) | 2002-05-29 | — | — | CN | disclosed |
| EP-1029859-A1 | N,N'-Disubstituted unsymmetrical cyclic urea and its use in therapy | Dupont Pharmaceuticals Company (US) | 2000-08-23 | — | — | EP | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| WO-1996029329-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |
| 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 | disclosed |