Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.41 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5552048 | 0.80 | S1PR1 (0.45) | CASP3NOTUMS1PR1 | |
| SCHEMBL346441 | 0.78 | TP53 (0.43) | NPC1RAB9ANOTUMIDO1KDM4E | |
| SCHEMBL2108715 | 0.77 | RXRA (0.36) | NPSR1HPGDSMN1; SMN2S1PR1HDAC1 | |
| SCHEMBL5548164 | 0.76 | RAB9A (0.49) | CASP3NPC1RAB9AIDO1KDM4E | |
| SCHEMBL14338262 | 0.75 | IDO1 (0.56) | NPC1RAB9ANR1H4NOTUMIDO1 | |
| SCHEMBL5551743 | 0.75 | IDO1 (0.45) | NPC1RAB9ANOTUMIDO1SMN1; SMN2 | |
| SCHEMBL28945032 | 0.73 | AR (0.43) | CASP3NOTUMS1PR1CTSS | |
| SCHEMBL30206 | 0.73 | RAB9A (0.44) | CASP3NPC1RAB9ANR1H4NOTUM | |
| SCHEMBL29808202 | 0.72 | NOTUM (0.50) | CASP3NPC1RAB9ANR1H4NOTUM | |
| SCHEMBL2106230 | 0.72 | NOTUM (0.50) | CASP3NPC1RAB9ANR1H4NOTUM |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7304070-B2 | A2B adenosine receptor antagonists | CV THERAPEUTICS, INC. (US) | 2007-12-04 | — | — | US | claimed |
| US-20050101778-A1 | A2B adenosine receptor antagonists | GILEAD SCIENCES, INC. | 2005-05-12 | — | — | US | claimed |
| 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 |
| CN-101715442-B | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME | 2014-03-26 | — | — | CN | 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-20120231018-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-8242112-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-08-14 | — | — | US | disclosed |
| US-20090209523-A1 | Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-08-20 | — | — | US | disclosed |
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-2032140-A1 | PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2009-03-11 | — | — | 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 |
| WO-2007138355-A1 | PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-12-06 | — | — | WO | 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 | CASP3 422/4885NPC1 649/4885RAB9A 3578/4885 |
| US-20050101778-A1 | A2B adenosine receptor antagonists | ADORA2B, ADORA2A, ADORA1 | CASP3 3449/4885NPC1 2702/4885RAB9A 1704/4885 |
| US-20060111370-A1 | Heterocyclic aspartyl protease inhibitors | CHRM1, CHRM2, PRSS1 | CASP3 232/4885NPC1 797/4885RAB9A 2824/4885 |
| US-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | CASP3 422/4885NPC1 649/4885RAB9A 3578/4885 |
| 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 | CASP3 188/4885NPC1 244/4885RAB9A 1135/4885 |
| US-20130018066-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | CASP3 232/4885NPC1 797/4885RAB9A 2824/4885 |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | CASP3 422/4885NPC1 649/4885RAB9A 3578/4885 |
| US-20090209523-A1 | Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) | PARP1, PARP2, PARP11 | CASP3 390/4885NPC1 4193/4885RAB9A 2823/4885 |
“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.