Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221150 | 0.86 | EGFR (0.43) | ALDH1A1KDM4EHPGDSIGMAR1EGFR | |
| SCHEMBL7216546 | 0.84 | KMT2A (0.46) | ALDH1A1SIGMAR1EGFRSMN1; SMN2MTNR1A | |
| SCHEMBL7220257 | 0.82 | EGFR (0.54) | ALDH1A1HPGDLMNAEGFRSMN1; SMN2 | |
| SCHEMBL3638056 | 0.78 | SLC6A19 (0.49) | ALDH1A1EGFRMTNR1AMTNR1BKMT2A | |
| SCHEMBL5011517 | 0.78 | EGFR (0.70) | ALDH1A1HPGDTSHREGFRKMT2A | |
| SCHEMBL27489787 | 0.77 | PLAAT5 (0.62) | ALDH1A1KDM4EHPGDSIGMAR1TDP1 | |
| SCHEMBL6726303 | 0.76 | EGFR (0.73) | ALDH1A1HPGDEGFRKMT2A | |
| SCHEMBL5485829 | 0.76 | EGFR (0.73) | ALDH1A1HPGDEGFRKMT2A | |
| SCHEMBL542239 | 0.76 | TDP1 (0.74) | ALDH1A1KDM4EHPGDTDP1ACHE | |
| SCHEMBL109970 | 0.74 | ZDHHC20 (0.53) | ALDH1A1KDM4EHPGDSIGMAR1TDP1 |
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 |
| 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 |
| US-5506355-A | REACTING DIAMINE HAVING DIOL PROTECTED WITH CYCLIC ACETAL GROUP IN SOLVENT WITH HINDERED AMINE BASE AND SULFONYL GROUP PRECURSOR, ALKYLATING IN PRESENCE OF BASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-09 | — | — | 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 |