Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.44 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.40 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28597182 | 0.89 | ADRB1 (0.45) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3273817 | 0.89 | GSK3B (0.46) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3273814 | 0.89 | GSK3B (0.46) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL18617279 | 0.82 | KHK (0.47) | PDE10AGSK3BPRKCQPRKCDKHK | |
| SCHEMBL16096852 | 0.80 | PDE10A (0.44) | ADRB1PDE10AGSK3BRPS6KB1PRKCQ | |
| SCHEMBL17504935 | 0.80 | NR1H2 (0.56) | HTR6 | |
| SCHEMBL17504922 | 0.80 | NR1H2 (0.56) | HTR6 | |
| SCHEMBL20671922 | 0.79 | PDE10A (0.41) | ADRB1SIGMAR1PDE10AGSK3BRPS6KB1 | |
| SCHEMBL4246310 | 0.78 | KHK (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9050013 | 0.78 | KDM4E (0.42) | SIGMAR1PDE10AGSK3BRPS6KB1PRKCQ |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180079730-A1 | ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES | SHIFA BIOMEDICAL CORP (US) | 2018-03-22 | — | — | US | disclosed |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-8637499-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| EP-2640367-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2435426-B1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS INC (US) | 2013-05-22 | — | — | EP | disclosed |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| WO-2012068106-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2435426-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2012-04-04 | — | — | EP | disclosed |
| WO-2010138487-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | WO | 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 (3 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-20180079730-A1 | ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES | PCSK9, PCSK7, PCSK6 | ADRB1 1427/4885HTR3E 1961/4885HTR3B 2410/4885 |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | PIK3R1, PIK3R3, PIK3R2 | ADRB1 2486/4885HTR3E 1509/4885HTR3B 1210/4885 |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ADRB1 1216/4885HTR3E 870/4885HTR3B 655/4885 |
“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.