Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | GPR142 | Q7Z601 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.36 |
| ▸ | TUBB | P07437 | 4/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.36 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL859190 | 0.88 | PIK3CA (0.47) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL856604 | 0.86 | HRH4 (0.41) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL6126485 | 0.86 | HRH4 (0.42) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL3753332 | 0.85 | PIK3CA (0.46) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL3750472 | 0.85 | ROCK2 (0.46) | ENPP1CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL3755141 | 0.85 | HRH4 (0.47) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL858356 | 0.85 | TUBB4A (0.43) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL3765159 | 0.84 | PIK3CA (0.38) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL8880856 | 0.84 | HRH4 (0.44) | ENPP1GPR142CYP1A2KDM4EALDH1A1 | |
| SCHEMBL6119407 | 0.83 | ENPP1 (0.39) | ENPP1GPR142CYP1A2KDM4EALDH1A1 |
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-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | claimed |
| 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-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 |
| 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-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 |
| 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 3408/4885GPR142 1660/4885CYP1A2 997/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ENPP1 3308/4885GPR142 2004/4885CYP1A2 1244/4885 |
“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.