Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AMPD2 | Q01433 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16768111 | 0.88 | DDB1 (0.40) | ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL2075062 | 0.87 | ALDH1A1 (0.45) | ALDH1A1AMPD2LMNATSHRGAA | |
| SCHEMBL15571839 | 0.87 | ALDH1A1 (0.45) | ALDH1A1AMPD2LMNATSHRGAA | |
| SCHEMBL4748917 | 0.83 | AMPD2 (0.44) | ALDH1A1AMPD2CYP3A4LMNAKDM4E | |
| SCHEMBL6132736 | 0.78 | GAA (0.44) | ALDH1A1AMPD2CYP3A4LMNAGAA | |
| SCHEMBL2074739 | 0.76 | ALDH1A1 (0.42) | ALDH1A1AMPD2LMNAKDM4EMEN1 | |
| SCHEMBL2072649 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C19KDM4EMEN1 | |
| SCHEMBL27979606 | 0.74 | GAA (0.45) | ALDH1A1AMPD2CYP3A4LMNAKDM4E | |
| SCHEMBL6132761 | 0.73 | OPRM1 (0.39) | ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL27952229 | 0.71 | GAA (0.33) | ALDH1A1AMPD2LMNAMEN1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470546-B1 | HEXAHYDROOXAZINOPTERIDINE COMPOUNDS FOR USE AS MTOR INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2013-07-24 | — | — | EP | disclosed |
| US-8268819-B2 | Hexahydrooxazinopterine compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-18 | — | — | US | disclosed |
| US-20120178924-A1 | HEXAHYDROOXAZINOPTERINE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-12 | — | — | US | disclosed |
| EP-2470546-A1 | HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | disclosed |
| US-8163755-B2 | Hexahydrooxazinopterine compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-24 | — | — | US | disclosed |
| WO-2011025889-A1 | HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-03 | — | — | WO | disclosed |
| US-20110053921-A1 | HEXAHYDROOXAZINOPTERINE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-03 | — | — | 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-20120178924-A1 | HEXAHYDROOXAZINOPTERINE COMPOUNDS | HPRT1, HCCS, NUDT1 | ALDH1A1 2074/4885AMPD2 1842/4885CYP3A4 202/4885 |
| US-20110053921-A1 | HEXAHYDROOXAZINOPTERINE COMPOUNDS | MTOR, RICTOR, EIF4EBP1 | ALDH1A1 4123/4885AMPD2 574/4885CYP3A4 238/4885 |
“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.