Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13337358 | 0.85 | ALDH1A1 (0.51) | SLC22A12ALDH1A1TP53MCL1PTGS1 | |
| SCHEMBL12900927 | 0.79 | MEN1 (0.49) | ALDH1A1DRD2DRD3MCL1BACE1 | |
| SCHEMBL3790081 | 0.79 | BACE1 (0.52) | ALDH1A1DRD2DRD3MCL1BACE1 | |
| SCHEMBL5202983 | 0.78 | PIK3CD (0.47) | ALDH1A1DRD2DRD3MCL1BACE1 | |
| SCHEMBL4157469 | 0.78 | SLC22A12 (0.50) | SLC22A12ALDH1A1PTGS1PTGS2ACLY | |
| SCHEMBL31500466 | 0.76 | SLC22A12 (0.49) | SLC22A12ALDH1A1PTGS1PTGS2MAPT | |
| SCHEMBL26927487 | 0.76 | SLC22A12 (0.49) | SLC22A12ALDH1A1PTGS1PTGS2MAPT | |
| SCHEMBL3641461 | 0.76 | EP300 (0.55) | ALDH1A1TP53PIK3CDPIK3CAPIK3CB | |
| SCHEMBL1542958 | 0.76 | ALDH1A1 (0.53) | SLC22A12ALDH1A1PTGS1PTGS2MEN1 | |
| SCHEMBL17363249 | 0.75 | ACLY (0.54) | SLC22A12ALDH1A1BACE1PTGS1PTGS2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280946-B1 | 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES | GLAXO GROUP LTD (GB) | 2016-02-10 | — | — | EP | disclosed |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | 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 |
| 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 |
| US-8163743-B2 | 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases | GlaxoGroupLimited (GB) | 2012-04-24 | — | — | US | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20110112070-A1 | 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES | GLAXO GROUP LIMITED (GB) | 2011-05-12 | — | — | 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 (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 | SLC22A12 1522/4885ALDH1A1 3395/4885DRD2 2580/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | SLC22A12 1280/4885ALDH1A1 3533/4885DRD2 2096/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | SLC22A12 1414/4885ALDH1A1 3049/4885DRD2 3168/4885 |
| US-20110112070-A1 | 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES | CDK3, CDK13, MAP3K13 | SLC22A12 3748/4885ALDH1A1 4083/4885DRD2 4803/4885 |
“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.