Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | INSR | P06213 | 1/20 | 0.30 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL859353 | 0.89 | S1PR1 (0.38) | S1PR1S1PR3ACHEGPR119PIK3CA | |
| Hydrochloric Acid SCHEMBL858625 | 0.89 | S1PR1 (0.35) | S1PR1S1PR3ACHEPIK3CA | |
| Hydrochloric Acid SCHEMBL857390 | 0.88 | S1PR1 (0.37) | S1PR1S1PR3ACHEGPR119PIK3CA | |
| Hydrochloric Acid SCHEMBL856381 | 0.87 | S1PR1 (0.36) | S1PR1S1PR3ACHEPIK3CANPC1 | |
| SCHEMBL12980013 | 0.84 | S1PR1 (0.37) | S1PR1S1PR3ACHEGPR119PIK3CA | |
| Trifluoroacetic Acid SCHEMBL6126712 | 0.80 | S1PR1 (0.34) | S1PR1S1PR3ACHEPIK3CASSTR4 | |
| SCHEMBL3793393 | 0.79 | S1PR1 (0.40) | S1PR1S1PR3ACHEPIK3CANPC1 | |
| Hydrochloric Acid SCHEMBL858298 | 0.77 | S1PR1 (0.36) | S1PR1S1PR3ACHEPIK3CANPC1 | |
| SCHEMBL2724563 | 0.75 | S1PR1 (0.38) | S1PR1S1PR3ACHEPIK3CAMAPK14 | |
| SCHEMBL6125792 | 0.74 | S1PR1 (0.40) | S1PR1S1PR3PIK3CASSTR4 |
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 3 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 |
| US-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2010-11-25 | — | — | 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 (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 | S1PR1 2340/4885S1PR3 1842/4885ACHE 3847/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | S1PR1 2179/4885S1PR3 1637/4885ACHE 4105/4885 |
“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.