Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | PRNP | P04156 | 7/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9173175 | 0.85 | ALDH1A1 (0.55) | ALDH1A1LMNAKDM4EPRNPNPSR1 | |
| SCHEMBL16404343 | 0.84 | MAOA (0.50) | ALDH1A1LMNAKDM4EPRNPNPSR1 | |
| SCHEMBL92745 | 0.82 | KMT2A (0.50) | ALDH1A1LMNAKDM4EMAPTL3MBTL1 | |
| SCHEMBL7835433 | 0.82 | PDE4A (0.49) | ALDH1A1KDM4EPRNPNPSR1TSHR | |
| SCHEMBL790531 | 0.81 | MAPT (0.47) | ALDH1A1LMNAKDM4EPRNPTSHR | |
| SCHEMBL2261435 | 0.81 | MAOA (0.52) | ALDH1A1LMNAKDM4ETSHRMAPT | |
| SCHEMBL13057125 | 0.80 | L3MBTL1 (0.49) | ALDH1A1LMNATSHRMAPTL3MBTL1 | |
| SCHEMBL10171939 | 0.78 | POLB (0.54) | ALDH1A1LMNAKDM4EPRNPNPSR1 | |
| SCHEMBL14985883 | 0.78 | GPR3 (0.55) | ALDH1A1LMNAKDM4EPRNPNPSR1 | |
| SCHEMBL28224409 | 0.78 | L3MBTL1 (0.49) | LMNAMAPTL3MBTL1KMT2AMEN1 |
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-3960735-B1 | QUINAZOLINE DERIVATIVES USED TO TREAT HIV | GILEAD SCIENCES INC (US) | 2023-09-13 | — | — | EP | disclosed |
| US-8809343-B2 | Pyrimidine derivative, preparation method and use thereof | FUDAN UNIVERSITY (CN) | 2014-08-19 | — | — | 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 |
| CN-103140484-A | Cyclic amine azaheterocyclic carboxamides | MERCK PATENT GMBH | 2013-06-05 | — | — | CN | 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-20120122902-A1 | PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | FUDAN UNIVERSITY (CN) | 2012-05-17 | — | — | US | disclosed |
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | 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 |
| 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 (3 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 3395/4885LMNA 2593/4885KDM4E 610/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3049/4885LMNA 2157/4885KDM4E 760/4885 |
| US-20120122902-A1 | PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | DPYD, TYMP, TYMS | ALDH1A1 905/4885LMNA 3365/4885KDM4E 1090/4885 |
“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.