Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.44 |
| ▸ | ADCY10 | Q96PN6 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5479186 | 0.89 | ALDH1A1 (0.46) | ENPP1ADCY10ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL858008 | 0.87 | EGFR (0.43) | ENPP1EGFRERBB2SMN1; SMN2TAAR1 | |
| SCHEMBL857333 | 0.85 | ENPP1 (0.45) | ENPP1ALDH1A1SMN1; SMN2LMNATAAR1 | |
| SCHEMBL857948 | 0.85 | ENPP1 (0.49) | ENPP1ADCY10ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL856035 | 0.84 | LMNA (0.41) | ENPP1EGFRERBB2ALDH1A1SMN1; SMN2 | |
| SCHEMBL857569 | 0.82 | HTR2A (0.42) | TAAR1L3MBTL1 | |
| SCHEMBL856234 | 0.81 | SMN1; SMN2 (0.53) | ENPP1ALDH1A1SMN1; SMN2LMNATAAR1 | |
| SCHEMBL856520 | 0.81 | ALDH1A1 (0.51) | ENPP1ALDH1A1SMN1; SMN2LMNATAAR1 | |
| SCHEMBL856022 | 0.81 | ALDH1A1 (0.45) | ENPP1ALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL855865 | 0.81 | ALDH1A1 (0.39) | ENPP1EGFRERBB2ALDH1A1SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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 | ENPP1 3408/4885EGFR 1918/4885ERBB2 478/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ENPP1 3308/4885EGFR 1831/4885ERBB2 498/4885 |
“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.