Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.44 |
| ▸ | HTR2A | P28223 | 7/20 | 0.44 |
| ▸ | HTR2C | P28335 | 7/20 | 0.44 |
| ▸ | HTR2B | P41595 | 7/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497100 | 0.92 | SIGMAR1 (0.42) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8200228 | 0.90 | SIGMAR1 (0.41) | SIGMAR1HTR2AHTR2CHTR2BTLR4 | |
| SCHEMBL8068468 | 0.76 | TDP1 (0.53) | — | |
| SCHEMBL9798232 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL2645192 | 0.72 | NPC1 (0.45) | DRD2RIPK1 | |
| SCHEMBL24130977 | 0.71 | NPC1 (0.47) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL13610577 | 0.69 | SIGMAR1 (0.76) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6673084 | 0.69 | OPRM1 (0.39) | SIGMAR1HTR2AHTR2CHTR2BDPP4 | |
| SCHEMBL790911 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7054866 | 0.69 | ALDH1A1 (0.36) | — |
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 59 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 |
| EP-0765873-B1 | Cyclic ureas and analogues useful as retroviral protease inhibitors | DU PONT PHARM CO (US) | 2002-04-17 | — | — | EP | 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-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 |
| EP-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | 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 |
| EP-0607334-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. | DU PONT MERCK PHARMA (US) | 1994-07-27 | — | — | EP | claimed |
| WO-1994008977-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-04-28 | — | — | WO | claimed |
| WO-1993007128-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-15 | — | — | WO | claimed |