Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9248249 | 0.75 | AKR1C3 (0.43) | NPC1RAB9AKMT2ARECQLL3MBTL1 | |
| SCHEMBL1821412 | 0.73 | PPIB (0.52) | KMT2AMEN1L3MBTL1KDM4ECYP3A4 | |
| SCHEMBL7388061 | 0.72 | NPSR1 (0.41) | NPC1RAB9AKMT2AMEN1RECQL | |
| SCHEMBL7135596 | 0.70 | NPC1 (0.73) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL8298035 | 0.69 | — | — | |
| SCHEMBL7220696 | 0.68 | CA1 (0.41) | NPC1RAB9AKMT2AMEN1RECQL | |
| SCHEMBL7594710 | 0.68 | NPC1 (0.55) | NPC1RAB9AKMT2AMEN1RECQL | |
| SCHEMBL12133489 | 0.68 | LTB4R (0.52) | NPC1RAB9AKMT2AMEN1L3MBTL1 | |
| SCHEMBL260807 | 0.67 | KMT2A (0.62) | NPC1RAB9AKMT2AMEN1L3MBTL1 | |
| SCHEMBL4667658 | 0.67 | ALDH1A1 (0.61) | KMT2AMEN1L3MBTL1MAPTHPGD |
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 35 patents. 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 |
| EP-0691961-B1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | DU PONT PHARM CO (US) | 2002-02-13 | — | — | EP | claimed |
| EP-0686151-B1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | DU PONT PHARM CO (US) | 2000-07-05 | — | — | EP | claimed |
| US-5877170-A | VIRICIDES | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | 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 |
| 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 |
| US-5663333-A | Substituted 1,4-diazapine caprolactams useful for treatment of HIV disease | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-09-02 | — | — | US | claimed |
| US-5616578-A | Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-01 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | 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 |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | claimed |
| US-5543517-A | VIRICIDES | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-06 | — | — | 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-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | 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-1994022840-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | 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-1029859-A1 | N,N'-Disubstituted unsymmetrical cyclic urea and its use in therapy | Dupont Pharmaceuticals Company (US) | 2000-08-23 | — | — | EP | disclosed |
| US-5877170-A | VIRICIDES | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| 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 | disclosed |
| US-5663333-A | Substituted 1,4-diazapine caprolactams useful for treatment of HIV disease | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-09-02 | — | — | US | disclosed |
| US-5616578-A | Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-01 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | disclosed |
| US-5543517-A | VIRICIDES | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-06 | — | — | US | 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 |
| EP-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | 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-1994022840-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | 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 |
| 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 |