Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL856169 | 0.76 | MAP4K4 (0.39) | KDM4EMAP4K4KMT2APARP1HTT | |
| SCHEMBL856946 | 0.76 | CYP1A2 (0.39) | ALDH1A1KDM4EMAP4K4MEN1KMT2A | |
| SCHEMBL861736 | 0.69 | RAB9A (0.49) | MEN1KMT2AGAAL3MBTL1NPC1 | |
| SCHEMBL1451142 | 0.68 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDENPP2ESR2 | |
| SCHEMBL17511896 | 0.68 | PI4KA (0.43) | ALDH1A1KDM4EHPGDESR2ESR1 | |
| SCHEMBL30317618 | 0.67 | PARP1 (0.47) | ALDH1A1KDM4EHPGDENPP2MAP4K4 | |
| SCHEMBL856888 | 0.67 | — | — | |
| SCHEMBL1192531 | 0.67 | PARP1 (0.47) | ALDH1A1KDM4EHPGDENPP2MAP4K4 | |
| SCHEMBL1450911 | 0.65 | MEN1 (0.38) | ALDH1A1KDM4EHPGDESR2ESR1 | |
| SCHEMBL857349 | 0.65 | EGFR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| US-8383839-B2 | Heterocyclidene acetamide derivative | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2013-02-26 | — | — | US | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20110112071-A1 | NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2011-05-12 | — | — | US | disclosed |
| US-7910751-B2 | Heterocyclidene acetamide derivative | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| US-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| US-20080287428-A1 | Novel Heterocyclidene Acetamide Derivative | MOCHIDA PHARMACEUTICAL CO.,LTD (JP) | 2008-11-20 | — | — | US | disclosed |
| EP-1908753-A1 | NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-09 | — | — | EP | 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 (5 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-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3395/4885KDM4E 610/4885HPGD 917/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3533/4885KDM4E 361/4885HPGD 1161/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3049/4885KDM4E 760/4885HPGD 981/4885 |
| US-20080287428-A1 | Novel Heterocyclidene Acetamide Derivative | TRPV1, TRPV3, TRPA1 | ALDH1A1 2362/4885KDM4E 3809/4885HPGD 1588/4885 |
| US-20110112071-A1 | NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE | TRPV1, TRPV3, TRPA1 | ALDH1A1 2362/4885KDM4E 3809/4885HPGD 1588/4885 |
“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.