Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14722201 | 0.71 | PDE10A (0.36) | ALDH1A1KDM4ELMNATP53CYP3A4 | |
| SCHEMBL29027368 | 0.62 | ALDH1A1 (0.60) | ALDH1A1KDM4ELMNATP53CYP3A4 | |
| SCHEMBL14123484 | 0.61 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP3A4MAPTMAPK1 | |
| SCHEMBL21719324 | 0.60 | ALDH1A1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL6130010 | 0.59 | MAPK1 (0.39) | ALDH1A1KDM4ELMNATP53CYP3A4 | |
| SCHEMBL14430073 | 0.58 | ERN1 (0.50) | ALDH1A1KDM4ELMNAMAPTPKM | |
| SCHEMBL8740138 | 0.57 | — | — | |
| SCHEMBL11161976 | 0.57 | ALDH1A1 (0.43) | ALDH1A1KDM4ETP53CYP3A4MAPT | |
| SCHEMBL30277307 | 0.57 | — | — | |
| SCHEMBL31678550 | 0.57 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNACYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013027845-A1 | RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |