Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 10/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6119912 | 1.00 | KDM1A (0.41) | KDM1ATRPA1BACE1CYP2C9CYP2C19 | |
| SCHEMBL2705811 | 0.89 | TRPA1 (0.50) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| SCHEMBL8535706 | 0.89 | TRPA1 (0.50) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| SCHEMBL2706482 | 0.89 | TRPA1 (0.50) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| SCHEMBL26984276 | 0.89 | TRPA1 (0.50) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27077286 | 0.87 | TRPA1 (0.49) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| SCHEMBL6119918 | 0.78 | KDM1A (0.34) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| SCHEMBL6119978 | 0.78 | KDM1A (0.34) | KDM1ATRPA1TSHRUSP2ALDH1A1 | |
| Oxalic Acid SCHEMBL7961185 | 0.75 | HTT (0.38) | KDM1ATRPA1TSHRALDH1A1TP53 | |
| SCHEMBL26984165 | 0.73 | KDM1A (0.39) | KDM1ATRPA1TSHR |
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-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | EXELIXIS, INC. (US) | 2014-12-25 | — | — | 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 |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | EXELIXIS, INC. (US) | 2014-01-23 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | KDM1A 1161/4885TRPA1 1356/4885BACE1 298/4885 |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | KDM1A 1161/4885TRPA1 1356/4885BACE1 298/4885 |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | PIK3R1, PIK3R3, PIK3R2 | KDM1A 1807/4885TRPA1 3882/4885BACE1 3198/4885 |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | KDM1A 1341/4885TRPA1 1581/4885BACE1 404/4885 |
“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.