Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 5/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3806136 | 0.87 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AACACBBRD4 | |
| SCHEMBL861881 | 0.81 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9AACACBHDAC6 | |
| SCHEMBL2034906 | 0.72 | SIK1 (0.42) | ALDH1A1NPC1RAB9AACACBASAH1 | |
| SCHEMBL8539342 | 0.71 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AACACBASAH1 | |
| SCHEMBL3943731 | 0.68 | HDAC8 (0.42) | ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL858086 | 0.67 | MCL1 (0.42) | ALDH1A1NPC1RAB9AACACBLMNA | |
| SCHEMBL14720210 | 0.66 | NTSR1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL9614538 | 0.66 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2LMNAMAPTMAPK1 | |
| SCHEMBL862091 | 0.65 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ABRD4ASAH1 | |
| SCHEMBL10687 | 0.65 | KMO (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA |
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-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | 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-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | 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 |
| 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 |
| EP-2435426-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2012-04-04 | — | — | EP | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010138487-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | WO | 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 (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-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3395/4885NPC1 1583/4885RAB9A 1023/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3049/4885NPC1 1132/4885RAB9A 1064/4885 |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | PIK3R1, PIK3R3, PIK3R2 | ALDH1A1 2390/4885NPC1 1237/4885RAB9A 2256/4885 |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3351/4885NPC1 959/4885RAB9A 954/4885 |
“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.