Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 3/20 | 0.67 |
| ▸ | CTSB | P07858 | 3/20 | 0.67 |
| ▸ | CTSS | P25774 | 3/20 | 0.67 |
| ▸ | CTSK | P43235 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | KDM1A | O60341 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | TACR1 | P25103 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL629856 | 1.00 | CTSL (0.67) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL1709147 | 1.00 | CTSL (0.67) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL19017976 | 0.90 | CTSK (0.55) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL7919838 | 0.90 | CTSK (0.55) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL13949513 | 0.90 | CTSL (0.55) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL12406443 | 0.90 | CTSK (0.56) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL4228130 | 0.90 | CTSL (0.55) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL3709555 | 0.90 | CTSK (0.55) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL5859423 | 0.90 | CTSL (0.56) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL13724915 | 0.89 | CASP1 (0.57) | CTSLCTSBCTSSCTSKALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-0765873-B1 | Cyclic ureas and analogues useful as retroviral protease inhibitors | DU PONT PHARM CO (US) | 2002-04-17 | — | — | EP | disclosed |
| EP-0721449-B1 | INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION | MERRELL PHARMA INC (US) | 2001-12-19 | — | — | EP | disclosed |
| EP-1153921-A2 | Cyclic ureas and analogues useful as retroviral protease inhibitors | Dupont Pharmaceuticals Company (US) | 2001-11-14 | — | — | EP | disclosed |
| US-5977074-A | THERAPY FOR ALZHEIMER'S DISEASE | MERRELL PHARMACEUTICALS, INC. (US) | 1999-11-02 | — | — | 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 |
| EP-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0765873-A1 | Cyclic ureas and analogues useful as retroviral protease inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-02 | — | — | EP | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |