Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | PAM | P19021 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL17330729 | 0.81 | HTR2A (0.44) | ALDH1A1TSHRCYP2A6HTR2ALMNA | |
| SCHEMBL7903419 | 0.76 | HTR2A (0.59) | HTR2APAMMAOBHDAC3TNKS | |
| SCHEMBL4029905 | 0.76 | HTR2A (0.59) | HTR2APAMMAOBHDAC3TNKS | |
| SCHEMBL8356158 | 0.75 | HTR2A (0.44) | ALDH1A1TSHRCYP2A6HTR2A | |
| SCHEMBL543436 | 0.75 | HTR2A (0.47) | ALDH1A1TSHRCYP2A6HTR2AMAOB | |
| SCHEMBL10990699 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2A6HTR2APAM | |
| SCHEMBL2142092 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP2A6PAMMAOB | |
| SCHEMBL4351016 | 0.71 | HTR2A (0.64) | CYP2A6HTR2AMAOB | |
| SCHEMBL6028571 | 0.71 | HTR2A (0.44) | ALDH1A1TSHRCYP2A6HTR2AMAOB | |
| SCHEMBL8105153 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2A6HTR2ALMNA |
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 39 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 |
| CN-101309904-A | 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) | WYETH CORP (US) | 2008-11-19 | — | — | CN | 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 |
| 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-0837855-A4 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | DU PONT MERCK PHARMA (US) | 1998-09-02 | — | — | EP | 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 |
| 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 | 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 |
| 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 |
| 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 |