Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19457361 | 1.00 | EPHX2 (0.55) | EPHX2KMT2AMEN1ALDH1A1JAK2 | |
| SCHEMBL19457363 | 0.92 | EPHX2 (0.53) | EPHX2KMT2AMEN1ALDH1A1GAA | |
| SCHEMBL19457359 | 0.92 | EPHX2 (0.53) | EPHX2KMT2AMEN1ALDH1A1GAA | |
| SCHEMBL19457360 | 0.91 | EPHX2 (0.60) | EPHX2KMT2AMEN1ALDH1A1GAA | |
| SCHEMBL12111692 | 0.86 | EPHX2 (0.52) | EPHX2KMT2AMEN1ALDH1A1JAK2 | |
| SCHEMBL17861034 | 0.83 | MBTD1 (0.61) | KMT2AMEN1ALDH1A1LMNANPSR1 | |
| SCHEMBL17843469 | 0.83 | MBTD1 (0.61) | KMT2AMEN1ALDH1A1LMNANPSR1 | |
| SCHEMBL17860988 | 0.83 | MBTD1 (0.61) | KMT2AMEN1ALDH1A1LMNANPSR1 | |
| SCHEMBL2856989 | 0.83 | PKLR (0.57) | ALDH1A1LMNANPSR1 | |
| SCHEMBL20885016 | 0.82 | KCNH2 (0.47) | KMT2AALDH1A1LMNAKDM4ENPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3440084-B1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS | DANA FARBER CANCER INST INC (US) | 2022-12-21 | — | — | EP | disclosed |
| WO-2017177092-A1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-10-12 | — | — | WO | disclosed |