Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1A1 | P14550 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 9/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13054067 | 1.00 | AKR1A1 (0.39) | AKR1A1AKR1B1BACE1BACE2TNKS | |
| SCHEMBL13055102 | 0.96 | AKR1A1 (0.37) | AKR1A1AKR1B1BACE1BACE2TNKS | |
| SCHEMBL7549590 | 0.96 | AKR1A1 (0.37) | AKR1A1AKR1B1BACE1BACE2TNKS | |
| SCHEMBL7589035 | 0.88 | AKR1A1 (0.35) | AKR1A1AKR1B1 | |
| SCHEMBL8213652 | 0.86 | MAPT (0.35) | BACE1BACE2PARP1HTR7 | |
| SCHEMBL7563695 | 0.86 | MAPT (0.35) | BACE1BACE2PARP1HTR7 | |
| SCHEMBL7548323 | 0.84 | MEN1 (0.39) | BACE1BACE2HTR7 | |
| SCHEMBL15354291 | 0.84 | BACE1 (0.32) | BACE1BACE2 | |
| SCHEMBL7590403 | 0.84 | MEN1 (0.39) | BACE1BACE2HTR7 | |
| SCHEMBL13053906 | 0.84 | TP53 (0.34) | BACE1BACE2TNKSPARP1TNKS2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097387-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-04 | — | — | EP | disclosed |
| US-8829036-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-7763609-B2 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION (US) | 2010-07-27 | — | — | US | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | AKR1A1 1501/4885AKR1B1 1760/4885BACE1 8/4885 |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | AKR1A1 2917/4885AKR1B1 3265/4885BACE1 1/4885 |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | CTSZ, CTSL, PRSS1 | AKR1A1 1195/4885AKR1B1 1076/4885BACE1 41/4885 |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | AKR1A1 2917/4885AKR1B1 3265/4885BACE1 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.