Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16980134 | 0.69 | POLB (0.39) | GFERKDM4EALDH1A1GAALMNA | |
| SCHEMBL11486350 | 0.68 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL24334888 | 0.67 | CASP3 (0.38) | GFERKDM4EALDH1A1CASP3POLB | |
| SCHEMBL7982510 | 0.66 | TTR (0.55) | GFERKDM4EALDH1A1GAALMNA | |
| SCHEMBL29583687 | 0.66 | CASP3 (0.40) | GFERKDM4EALDH1A1GAATDP1 | |
| SCHEMBL11526334 | 0.64 | ALDH1A1 (0.42) | KDM4EALDH1A1GAALMNACASP3 | |
| SCHEMBL8968026 | 0.62 | MAPT (0.38) | KDM4EALDH1A1GAACASP3POLB | |
| SCHEMBL5937266 | 0.62 | ALDH1A1 (0.66) | ALDH1A1GAASMN1; SMN2CYP1A2 | |
| SCHEMBL27089618 | 0.62 | CHEK1 (0.55) | KDM4EALDH1A1GAALMNATDP1 | |
| SCHEMBL29511191 | 0.61 | CASP3 (0.81) | KDM4EALDH1A1CASP3POLBMEN1 |
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-A1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS | Dana-Farber Cancer Institute, Inc. (US) | 2019-02-13 | — | — | 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 |