Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27885569 | 0.89 | HSD17B3 (0.51) | SMN1; SMN2L3MBTL1HSD17B3CES2CES1 | |
| SCHEMBL29153730 | 0.86 | HSD17B3 (0.57) | HPGDSMN1; SMN2L3MBTL1HSD17B3CES2 | |
| SCHEMBL2644142 | 0.85 | MAPT (0.46) | HPGDSMN1; SMN2L3MBTL1CES2CES1 | |
| SCHEMBL28759425 | 0.81 | NR4A2 (0.62) | HPGDSMN1; SMN2L3MBTL1ALDH1A1RAB9A | |
| SCHEMBL28429598 | 0.79 | HPGD (0.55) | HPGDSMN1; SMN2L3MBTL1HSD17B3CES2 | |
| SCHEMBL28721790 | 0.79 | HPGD (0.51) | HPGDSMN1; SMN2L3MBTL1HSD17B3CES2 | |
| SCHEMBL2026598 | 0.79 | HSD17B3 (0.60) | HPGDSMN1; SMN2L3MBTL1HSD17B3ALDH1A1 | |
| SCHEMBL2027904 | 0.79 | CTNNB1 (0.59) | HPGDSMN1; SMN2L3MBTL1HSD17B3ALDH1A1 | |
| SCHEMBL27714044 | 0.79 | HPGD (0.50) | HPGDSMN1; SMN2L3MBTL1HSD17B3CES2 | |
| SCHEMBL3456365 | 0.79 | L3MBTL1 (0.57) | HPGDSMN1; SMN2L3MBTL1HSD17B3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105906591-A | Synthesis method of 2-amino-gamma-butyrolactone hydrochloride | 中国药科大学 | 2016-08-31 | — | — | CN | claimed |
| CN-102653543-A | Preparation method, biological activity and application of 3-substituted type Jolkinolide compound | UNIV CHINA PHARMA | 2012-09-05 | — | — | CN | claimed |
| 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-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 |
| 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 |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | 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-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-105906591-A | Synthesis method of 2-amino-gamma-butyrolactone hydrochloride | 中国药科大学 | 2016-08-31 | — | — | CN | disclosed |
| CN-102653543-A | Preparation method, biological activity and application of 3-substituted type Jolkinolide compound | UNIV CHINA PHARMA | 2012-09-05 | — | — | 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 |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| EP-0420464-B1 | 3-Isoxazolone derivatives, their preparation and their therapeutic uses | SANKYO CO (JP) | 1994-07-13 | — | — | EP | disclosed |
| US-5321037-A | Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants | SANKYO COMPANY, LIMITED (JP) | 1994-06-14 | — | — | US | disclosed |
| EP-0335723-B1 | ISOXAZOLE DERIVATIVES FOR USE AS CEREBRO-ACTIVE DRUGS AND CENTRAL MUSCLE RELAXANTS | Sankyo Company Limited (JP) | 1991-12-04 | — | — | EP | disclosed |
| EP-0420464-A2 | 3-Isoxazolone derivatives, their preparation and their therapeutic uses | Sankyo Company Limited (JP) | 1991-04-03 | — | — | EP | disclosed |
| EP-0335723-A1 | Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants | Sankyo Company Limited (JP) | 1989-10-04 | — | — | EP | disclosed |