Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MPL | P40238 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155119 | 0.82 | MAPT (0.41) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL29074750 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL20155425 | 0.81 | SOS1 (0.46) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL20155604 | 0.78 | NPC1 (0.43) | ALDH1A1GAAKMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL1662774 | 0.74 | MAPK14 (0.41) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL27199011 | 0.74 | MAPT (0.59) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL20155646 | 0.72 | LIPE (0.36) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL20155614 | 0.71 | IDO1 (0.40) | ALDH1A1MAPTGAAKMT2AKIF11 | |
| SCHEMBL3380576 | 0.71 | CA1 (0.47) | ALDH1A1MAPTGAAKDM4EMEN1 | |
| SCHEMBL20155463 | 0.70 | ALOX15 (0.45) | ALDH1A1GAAMEN1KMT2ATSHR |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |