Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL875111 | 0.80 | CA1 (0.43) | KIF11TAAR1CA1CA2CA5A | |
| SCHEMBL1173233 | 0.80 | CA1 (0.43) | KIF11TAAR1CA1CA2CA5A | |
| SCHEMBL245881 | 0.80 | CA1 (0.43) | KIF11TAAR1CA1CA2CA5A | |
| SCHEMBL27016733 | 0.79 | TAAR1 (0.46) | KIF11TAAR1KMT2AMAPK1 | |
| SCHEMBL28333332 | 0.79 | TAAR1 (0.46) | KIF11TAAR1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL17764391 | 0.79 | CA1 (0.42) | KIF11TAAR1CA1CA2CA5A | |
| Hydrochloric Acid SCHEMBL17764387 | 0.79 | CA1 (0.42) | KIF11TAAR1CA1CA2CA5A | |
| SCHEMBL1420802 | 0.76 | CA1 (0.40) | KIF11TAAR1CA1CA2CA5A | |
| SCHEMBL1420807 | 0.76 | CA1 (0.40) | KIF11TAAR1CA1CA2CA5A | |
| SCHEMBL12525446 | 0.75 | CA1 (0.48) | KIF11TAAR1CA1CA2CA5A |
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 22 patents — showing the first 20. 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-8778980-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130018066-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) | 2013-01-17 | — | — | 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-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-8242112-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-08-14 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20110218194-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) | 2011-09-08 | — | — | 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 |
| US-7700603-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |
| US-20090258868-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2009-10-15 | — | — | US | disclosed |
| EP-2097387-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2009-09-09 | — | — | EP | disclosed |
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | 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 |
| EP-1838304-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |
| US-20060111370-A1 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION | 2006-05-25 | — | — | 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 (8 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-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | KIF11 2707/4885TAAR1 1798/4885CA1 121/4885 |
| US-20060111370-A1 | Heterocyclic aspartyl protease inhibitors | CHRM1, CHRM2, PRSS1 | KIF11 3749/4885TAAR1 727/4885CA1 302/4885 |
| US-20110218194-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | KIF11 3749/4885TAAR1 727/4885CA1 302/4885 |
| US-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | KIF11 2707/4885TAAR1 1798/4885CA1 121/4885 |
| 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 | KIF11 3993/4885TAAR1 2012/4885CA1 1397/4885 |
| US-20090258868-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | KIF11 3749/4885TAAR1 727/4885CA1 302/4885 |
| US-20130018066-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | KIF11 3749/4885TAAR1 727/4885CA1 302/4885 |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | KIF11 2707/4885TAAR1 1798/4885CA1 121/4885 |
“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.